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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-04-06 16:19:57 UTC

Update Date

2021-09-14 15:47:36 UTC

HMDB ID

HMDB0012144

Secondary Accession Numbers

HMDB12144

Metabolite Identification

Common Name

2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin

Description

2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin is a pterin derivative. Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring with Several tautomers; the pyrimidine ring has a carbonyl oxygen and an amino group. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring. Pterins were first discovered in the pigments of butterfly wings and perform many roles in coloration in the biological world. Pterins also function as cofactors in enzyme catalysis (Wikipedia). Some pterin derivatives (biopterin, 6-formylpterin, 6-carboxypterin) accumulate in the skin of patients affected by vitiligo, a depigmentation disorder, where the protection against UV radiation fails due to the lack of melanin. Pterins participate in biologically important photosensitization processes; for example, pterins act as sensitizers in photochemical reactions that induce DNA damage4,5 and are able to generate singlet molecular oxygen6 and other reactive oxygen species (PMID: 19199487 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0012144
     RDKit          3D
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin
 35 36  0  0  0  0  0  0  0  0999 V2000
    5.3761    0.7863    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.6918   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934   -0.4507    0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -0.5661   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    0.5383   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373    1.7038   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    2.6872   -1.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.7375   -0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    0.3588   -0.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9506   -0.6203   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    0.0187    0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6358    1.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    0.9324    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    2.0129   -0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693    0.1989   -0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283   -0.8938    0.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -1.6831    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -2.9433    0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -1.7393    0.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -2.9282   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412    0.4353    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508    1.2284   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    2.6207   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.0269   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.0875   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015   -0.7763    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.6337    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    1.3220    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952    2.2594   -1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6718    0.8746   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3264   -0.1456   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8653   -1.7136   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -1.4374    1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4566   -3.4720    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -3.2459   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8  2  1  0
 19  4  1  0
  1 21  1  0
  1 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
 20 35  1  0
M  END

  Mrv0541 02241203472D          

 20 21  0  0  0  0            999 V2000
    7.4196  -10.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161  -11.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1377  -10.4142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050  -10.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1309  -12.0668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050  -12.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8523  -10.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9869  -10.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7050   -9.5861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8489  -11.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1273  -12.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9869  -11.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567  -10.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5533  -12.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2721  -12.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2714  -10.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567   -9.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9860  -10.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2714  -11.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7007  -10.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012144

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)

> <INCHI_KEY>
KQZRTOGFDRQBSR-UHFFFAOYSA-N

> <FORMULA>
C9H15N5O6

> <MOLECULAR_WEIGHT>
289.2453

> <EXACT_MASS>
289.102233237

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
26.0171115149407

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,4,5,6,7,8-hexahydropteridin-4-one

> <ALOGPS_LOGP>
-2.44

> <JCHEM_LOGP>
-4.114108104333333

> <ALOGPS_LOGS>
-1.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.216825895819433

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.06283984475122

> <JCHEM_PKA_STRONGEST_BASIC>
3.6849949475295563

> <JCHEM_POLAR_SURFACE_AREA>
183.89999999999998

> <JCHEM_REFRACTIVITY>
72.9716

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,5,6,7-tetrahydropteridin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012144
     RDKit          3D
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin
 35 36  0  0  0  0  0  0  0  0999 V2000
    5.3761    0.7863    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.6918   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934   -0.4507    0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -0.5661   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    0.5383   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373    1.7038   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    2.6872   -1.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.7375   -0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    0.3588   -0.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9506   -0.6203   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    0.0187    0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6358    1.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    0.9324    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    2.0129   -0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693    0.1989   -0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283   -0.8938    0.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -1.6831    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -2.9433    0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -1.7393    0.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -2.9282   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412    0.4353    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508    1.2284   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    2.6207   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.0269   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.0875   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015   -0.7763    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.6337    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    1.3220    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952    2.2594   -1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6718    0.8746   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3264   -0.1456   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8653   -1.7136   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -1.4374    1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4566   -3.4720    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -3.2459   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8  2  1  0
 19  4  1  0
  1 21  1  0
  1 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
 20 35  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      13.850 -20.203   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.843 -21.742   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      15.190 -19.440   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      12.516 -19.433   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      15.178 -22.525   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      12.516 -22.518   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      16.524 -20.216   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      11.176 -20.203   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0      12.516 -17.894   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.518 -21.755   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      15.171 -24.064   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.176 -21.742   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.839 -19.440   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      17.833 -22.525   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       9.841 -22.518   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      19.173 -20.209   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      17.839 -17.901   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      20.507 -19.440   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      19.173 -21.742   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      21.841 -20.209   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13   10                                                  
CONECT    8    4   12                                                       
CONECT    9    4                                                            
CONECT   10    5   14    7                                                  
CONECT   11    5                                                            
CONECT   12    6   15    8                                                  
CONECT   13    7   16   17                                                  
CONECT   14   10                                                            
CONECT   15   12                                                            
CONECT   16   13   18   19                                                  
CONECT   17   13                                                            
CONECT   18   16   20                                                       
CONECT   19   16                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0012144
HETATM    1  N1  UNL     1       5.376   0.786   0.072  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.977   0.692  -0.142  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.293  -0.451   0.098  1.00  0.00           N  
HETATM    4  C2  UNL     1       1.981  -0.566  -0.094  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.260   0.538  -0.567  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.937   1.704  -0.816  1.00  0.00           C  
HETATM    7  O1  UNL     1       1.266   2.687  -1.242  1.00  0.00           O  
HETATM    8  N3  UNL     1       3.244   1.737  -0.599  1.00  0.00           N  
HETATM    9  N4  UNL     1      -0.133   0.359  -0.759  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.951  -0.620  -0.114  1.00  0.00           C  
HETATM   11  C6  UNL     1      -1.859   0.019   0.933  1.00  0.00           C  
HETATM   12  O2  UNL     1      -1.038   0.636   1.868  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.885   0.932   0.356  1.00  0.00           C  
HETATM   14  O3  UNL     1      -2.332   2.013  -0.285  1.00  0.00           O  
HETATM   15  C8  UNL     1      -3.869   0.199  -0.538  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.428  -0.894   0.110  1.00  0.00           O  
HETATM   17  C9  UNL     1      -0.144  -1.683   0.561  1.00  0.00           C  
HETATM   18  O5  UNL     1      -0.731  -2.943   0.468  1.00  0.00           O  
HETATM   19  N5  UNL     1       1.241  -1.739   0.149  1.00  0.00           N  
HETATM   20  O6  UNL     1       1.865  -2.928  -0.010  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.841   0.435   0.936  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.951   1.228  -0.676  1.00  0.00           H  
HETATM   23  H3  UNL     1       3.769   2.621  -0.785  1.00  0.00           H  
HETATM   24  H4  UNL     1      -0.583   1.027  -1.454  1.00  0.00           H  
HETATM   25  H5  UNL     1      -1.578  -1.088  -0.911  1.00  0.00           H  
HETATM   26  H6  UNL     1      -2.401  -0.776   1.494  1.00  0.00           H  
HETATM   27  H7  UNL     1      -1.091   1.634   1.741  1.00  0.00           H  
HETATM   28  H8  UNL     1      -3.490   1.322   1.210  1.00  0.00           H  
HETATM   29  H9  UNL     1      -2.895   2.259  -1.072  1.00  0.00           H  
HETATM   30  H10 UNL     1      -4.672   0.875  -0.877  1.00  0.00           H  
HETATM   31  H11 UNL     1      -3.326  -0.146  -1.447  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.865  -1.714  -0.061  1.00  0.00           H  
HETATM   33  H13 UNL     1      -0.118  -1.437   1.663  1.00  0.00           H  
HETATM   34  H14 UNL     1      -0.457  -3.472   1.262  1.00  0.00           H  
HETATM   35  H15 UNL     1       1.845  -3.246  -0.950  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5   19
CONECT    5    6    9
CONECT    6    7    7    8
CONECT    8   23
CONECT    9   10   24
CONECT   10   11   17   25
CONECT   11   12   13   26
CONECT   12   27
CONECT   13   14   15   28
CONECT   14   29
CONECT   15   16   30   31
CONECT   16   32
CONECT   17   18   19   33
CONECT   18   34
CONECT   19   20
CONECT   20   35
END

HMDB0012144
     RDKit          3D
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin
 35 36  0  0  0  0  0  0  0  0999 V2000
    5.3761    0.7863    0.0721 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775    0.6918   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934   -0.4507    0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9805   -0.5661   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2597    0.5383   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373    1.7038   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2663    2.6872   -1.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.7375   -0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    0.3588   -0.7592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9506   -0.6203   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591    0.0187    0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0383    0.6358    1.8678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    0.9324    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320    2.0129   -0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693    0.1989   -0.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283   -0.8938    0.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -1.6831    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -2.9433    0.4684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410   -1.7393    0.1488 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -2.9282   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412    0.4353    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9508    1.2284   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687    2.6207   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833    1.0269   -1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5778   -1.0875   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015   -0.7763    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    1.6337    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897    1.3220    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952    2.2594   -1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6718    0.8746   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3264   -0.1456   -1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8653   -1.7136   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -1.4374    1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4566   -3.4720    1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8453   -3.2459   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8  2  1  0
 19  4  1  0
  1 21  1  0
  1 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 14 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
 20 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₉H₁₅N₅O₆

Average Molecular Weight

289.2453

Monoisotopic Molecular Weight

289.102233237

IUPAC Name

2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,4,5,6,7,8-hexahydropteridin-4-one

Traditional Name

2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-3,5,6,7-tetrahydropteridin-4-one

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1

InChI Identifier

InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)

InChI Key

KQZRTOGFDRQBSR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Pyrimidine
1,3-aminoalcohol
Heteroaromatic compound
Vinylogous amide
1,2-aminoalcohol
Secondary alcohol
Alkanolamine
Polyol
Azacycle
N-organohydroxylamine
Secondary amine
Primary alcohol
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Primary amine
Hydrocarbon derivative
Alcohol
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0012144)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	11.5 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-4.1	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	11.06	ChemAxon
pKa (Strongest Basic)	3.68	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	183.9 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	72.97 m³·mol⁻¹	ChemAxon
Polarizability	26.02 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	166.499	31661259
DarkChem	[M-H]-	162.152	31661259
DeepCCS	[M+H]+	158.221	30932474
DeepCCS	[M-H]-	155.863	30932474
DeepCCS	[M-2H]-	188.761	30932474
DeepCCS	[M+Na]+	164.314	30932474
AllCCS	[M+H]+	164.5	32859911
AllCCS	[M+H-H2O]+	161.1	32859911
AllCCS	[M+NH4]+	167.6	32859911
AllCCS	[M+Na]+	168.4	32859911
AllCCS	[M-H]-	162.1	32859911
AllCCS	[M+Na-2H]-	161.8	32859911
AllCCS	[M+HCOO]-	161.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin	NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1	3560.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin	NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1	2531.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin	NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1	3324.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #1	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3067.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #2	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3123.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #3	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3132.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #4	C[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N)[NH]C2=O)N1O	3077.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)[NH]1	3256.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #6	C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)N(O)C(O)C1C(O)C(O)CO	3004.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TMS,isomer #7	C[Si](C)(C)N1C(N)=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C1=O	3197.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #1	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	2993.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #10	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2951.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #11	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	3104.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #12	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2986.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	3104.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #14	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2945.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #15	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	3122.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #16	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	3017.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #17	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N)[NH]C2=O)N1O	2926.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #18	C[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N1O	3038.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #19	C[Si](C)(C)N(C1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)[NH]1)[Si](C)(C)C	3160.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #2	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3000.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C	3201.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(O)CO)C(O)N2O	3014.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #22	C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C(O)C1C(O)C(O)CO	3013.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #3	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2933.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO)C(O)N2O)C(=O)[NH]1	3039.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #5	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2924.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #6	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	3044.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3035.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #8	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2971.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	3079.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	2916.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2879.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #11	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2815.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #12	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2897.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #13	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	3010.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C	3031.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #15	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O)N2O	2915.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #16	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2977.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2861.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #18	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	2979.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #19	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2862.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #2	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2848.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	2995.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2897.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #22	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2840.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #23	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2923.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #24	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	3047.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	3061.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #26	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O)N2O	2940.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #27	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	3002.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #28	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2915.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #29	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2825.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	2954.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #30	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2934.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #31	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	3071.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #32	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	3081.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #33	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O)N2O	2916.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #34	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2999.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #35	C[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N1O	2993.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #36	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	3014.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #37	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(O)CO)C(O[Si](C)(C)C)N2O	2911.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #38	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N)N([Si](C)(C)C)C2=O)N1O	2958.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #39	C[Si](C)(C)N(C1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	3184.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #4	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2851.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #40	C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C(O)C1C(O)C(O)CO	3024.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #41	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO)C(O)N2O	3073.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	2962.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2854.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	2944.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #8	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2845.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TMS,isomer #9	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	2955.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C	2744.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O	2891.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2933.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2803.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #13	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2744.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #14	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2861.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	2933.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #16	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	2954.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O	2865.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2918.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #19	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2878.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)[NH]1	2862.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #20	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2922.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O	2850.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #22	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2901.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #23	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2950.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #24	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3060.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #25	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O)N2O	3005.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #26	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2814.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #27	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2767.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #28	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2861.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #29	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	2983.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2808.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #30	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	2971.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #31	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2890.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #32	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2936.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #33	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2901.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #34	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2930.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #35	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2888.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #36	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2932.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #37	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2979.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #38	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3080.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #39	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O)N2O	3025.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O	2904.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #40	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2911.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #41	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2939.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #42	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2861.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #43	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2911.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #44	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2954.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #45	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3089.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #46	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O)N2O	3002.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #47	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N1O	2940.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #48	C[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N1O	3040.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #49	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO)C(O[Si](C)(C)C)N2O	2982.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2810.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #50	C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C(O)C1C(O)C(O)CO	3134.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #6	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2771.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #7	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2853.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	2945.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	2967.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2764.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	2934.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)[NH]1	4882.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2853.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2867.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3771.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2870.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2881.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	3987.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #12	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2940.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #12	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2941.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #12	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3805.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #13	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3021.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #13	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3090.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #13	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	4505.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O	2967.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O	2878.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O)N2O	3825.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2863.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	3079.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	4743.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #16	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2901.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #16	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	3011.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #16	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	4491.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2834.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2875.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3771.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2853.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2891.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #18	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	3978.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2913.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2945.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #19	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3806.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2728.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2818.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	3855.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3011.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3102.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #20	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	4505.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O	2948.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O	2884.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #21	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O)N2O	3825.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #22	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2905.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #22	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3017.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #22	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3758.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #23	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2995.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #23	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3119.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #23	C[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4432.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O	2950.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O	2948.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #24	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO)C(O[Si](C)(C)C)N2O	3785.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #25	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3047.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #25	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3032.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #25	C[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3877.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2885.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	3021.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	4837.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #27	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2902.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #27	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2965.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #27	C[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	4595.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #28	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2865.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #28	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2851.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #28	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3854.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #29	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2873.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #29	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2879.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #29	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	4052.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2831.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2913.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4354.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #30	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2939.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #30	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2936.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #30	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3883.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #31	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3019.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #31	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3058.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #31	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	4625.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #32	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2969.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #32	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2878.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #32	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	3908.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #33	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2928.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #33	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2988.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #33	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3807.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #34	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3008.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #34	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3071.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #34	C[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4511.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #35	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2978.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #35	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2925.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #35	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3834.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #36	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3072.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #36	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3028.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #36	C[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3923.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2908.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3004.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #37	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3810.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3004.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3102.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #38	C[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4513.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #39	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2951.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #39	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2935.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #39	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3838.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	2923.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	3035.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O	4832.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #40	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3043.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #40	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3033.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #40	C[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3935.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #41	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N1O	3032.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #41	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N1O	3064.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #41	C[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C)C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N1O	3875.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	2926.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	2953.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C	4552.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2870.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2784.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	3843.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2884.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2833.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	4066.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2876.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	3067.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	4740.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2893.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2995.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	4490.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	2853.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	3068.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C	4524.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2932.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2955.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3571.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3033.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3022.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #11	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3646.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #12	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2893.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #12	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3026.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #12	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3526.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #13	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2975.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #13	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3130.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #13	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4168.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2924.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2963.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3571.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3014.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3027.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #15	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3646.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #16	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3016.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #16	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3095.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #16	C[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3600.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2911.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2999.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3599.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2979.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3083.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #18	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4273.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2947.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2939.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #19	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3643.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2875.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	2986.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O)C(=O)N1[Si](C)(C)C	4275.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3033.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3019.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3719.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #21	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3042.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #21	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3077.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #21	C[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3645.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3011.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3084.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #22	C[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3647.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2831.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2873.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3574.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2856.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2901.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	3877.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2911.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2925.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3601.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	2986.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	3063.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O	4270.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2930.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	2876.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O)N2O	3638.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2915.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3016.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3525.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #9	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2974.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #9	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3118.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,6TMS,isomer #9	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	4167.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	2894.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3014.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3330.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	2967.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3117.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)N(O)C1O[Si](C)(C)C	3980.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2929.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	2966.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)N2O	3386.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3020.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3011.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3453.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3034.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3100.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3384.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3029.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3108.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #6	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3385.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3035.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3085.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,7TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3451.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3047.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3113.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1C(O[Si](C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C	3236.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3345.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3381.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3382.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N)[NH]C2=O)N1O	3351.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)[NH]1	3462.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)N(O)C(O)C1C(O)C(O)CO	3329.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C1=O	3442.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3466.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3461.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3575.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3461.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3560.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3455.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3612.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3473.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N)[NH]C2=O)N1O	3431.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N1O	3522.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	3563.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3486.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3659.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO)C(O)N2O	3475.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C(O)C1C(O)C(O)CO	3544.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3407.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O)N2O)C(=O)[NH]1	3480.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3431.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3533.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3523.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3435.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3520.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O	3553.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3537.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3496.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3594.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3569.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3688.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O)N2O	3571.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3666.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3551.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3637.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3548.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3518.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3702.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3574.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3516.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3638.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3636.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3735.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	3599.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3684.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3583.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3510.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3587.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3652.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3647.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3753.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	3583.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3677.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N1O	3586.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3706.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	3570.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N1O	3657.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3754.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3503.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C(O)C1C(O)C(O)CO	3626.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO)C(O)N2O	3720.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3636.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3533.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3590.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3507.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3651.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3668.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	3650.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3763.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3682.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3605.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3758.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3689.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3784.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	3650.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3780.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3664.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)[NH]1	3683.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3762.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	3642.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3759.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3731.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3817.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O)N2O	3803.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3703.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3627.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3768.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3742.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3619.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3830.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	3673.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3806.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3710.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3798.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3667.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3786.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3771.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3868.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	3820.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3747.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3709.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3810.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3656.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3781.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3757.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3873.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	3815.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N1O	3743.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N1O	3849.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	3817.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3669.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C(O)C1C(O)C(O)CO	3893.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3600.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3729.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3685.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3774.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3786.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	3800.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)[NH]1	4831.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3744.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3819.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	4036.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3867.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3800.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	4229.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3823.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3896.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4028.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3919.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3928.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	4462.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	3863.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	3844.3	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O)N2O	4058.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3795.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3908.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4690.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3884.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3865.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	4457.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3750.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3831.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	4041.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3879.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3810.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	4231.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3826.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3903.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4032.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3715.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3761.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	4125.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3921.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3940.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	4466.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	3867.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	3850.2	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)C(O)N2O	4063.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3819.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3890.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3989.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3918.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3919.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4410.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	3857.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	3843.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(O)CO)C(O[Si](C)(C)C(C)(C)C)N2O	4025.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3974.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3932.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(C(O)CO)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4086.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3818.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3867.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4763.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3902.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3830.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	4534.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3767.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3822.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	4091.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3896.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3814.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	4277.1	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3866.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3759.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4455.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3865.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3895.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1C(O)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4079.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3955.4	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	3909.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O	4548.8	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	3894.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	3842.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	4113.9	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3853.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3891.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4020.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3956.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3892.1	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4464.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3892.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3847.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	4057.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4003.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3938.7	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(CO)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4116.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3840.7	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3890.9	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O[Si](C)(C)C(C)(C)C)N(O)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4028.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3951.1	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3919.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4470.6	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3874.5	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	3847.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(O)C(O)CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O	4065.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3796.6	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	3896.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O	4764.0	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3988.8	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3934.4	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC(O)C(O)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4128.4	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N1O	3996.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N1O	3915.0	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(C(O)C(O)CO)N([Si](C)(C)C(C)(C)C)C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O)N1O	4081.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3875.9	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3728.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	4504.3	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	3745.3	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	3776.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)N2O	4091.2	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3873.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	3797.5	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C(O)N(O)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C	4282.5	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3790.0	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	3889.8	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1NC2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)N(O)C1O[Si](C)(C)C(C)(C)C	4683.7	Standard polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3867.2	Semi standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	3848.6	Standard non polar	33892256
2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)N2O)C(=O)N1[Si](C)(C)C(C)(C)C	4451.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin GC-MS (Non-derivatized) - 70eV, Positive	splash10-03k9-9250000000-ed65969b8a92432d02c1	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin GC-MS (4 TMS) - 70eV, Positive	splash10-0c00-3372190000-d873ed0eae62b6c36f12	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 10V, Positive-QTOF	splash10-0006-0090000000-8eb9a62dd0045b510707	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 20V, Positive-QTOF	splash10-0fka-1690000000-9b5abf1f429a5406d1fa	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 40V, Positive-QTOF	splash10-03di-9330000000-d14d64770c6ed518d557	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 10V, Negative-QTOF	splash10-000i-1090000000-62337634a8b5f1c81b1f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 20V, Negative-QTOF	splash10-03ej-6950000000-0a26b118cfbd1118fc0e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 40V, Negative-QTOF	splash10-06tf-9310000000-43c935d8405e4bb829cf	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 10V, Negative-QTOF	splash10-000i-0090000000-ed2094a9a02baf40342e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 20V, Negative-QTOF	splash10-06wd-1890000000-7d6a4aab5859324adf11	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 40V, Negative-QTOF	splash10-006x-7900000000-02a2fbdf086e417d02b6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 10V, Positive-QTOF	splash10-00dl-0090000000-7d03a9ec97c10bef10d9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 20V, Positive-QTOF	splash10-0006-0090000000-24421112d2d39eb45a56	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin 40V, Positive-QTOF	splash10-003r-0910000000-0ecefc80926b16afa50e	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028801

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

C05253

BioCyc ID

2-AMINO-4-OXO-6-123-TRIHYDROXYPROP

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Petroselli G, Dantola ML, Cabrerizo FM, Lorente C, Braun AM, Oliveros E, Thomas AH: Quenching of the fluorescence of aromatic pterins by deoxynucleotides. J Phys Chem A. 2009 Mar 5;113(9):1794-9. doi: 10.1021/jp8101496. [PubMed:19199487 ]

Showing metabocard for 2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin (HMDB0012144)

MOL for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

3D MOL for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

3D SDF for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

3D-SDF for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

PDB for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

3D PDB for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

SMILES for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

INCHI for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

Structure for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

3D Structure for HMDB0012144 (2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra