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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 14:17:36 UTC

Update Date

2021-09-14 14:59:01 UTC

HMDB ID

HMDB0002109

Secondary Accession Numbers

HMDB02109

Metabolite Identification

Common Name

Hydroxysepiapterin

Description

Hydroxysepiapterin belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Hydroxysepiapterin has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make hydroxysepiapterin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hydroxysepiapterin.

Structure

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

HMDB0002109
     RDKit          3D
Hydroxysepiapterin
 29 30  0  0  0  0  0  0  0  0999 V2000
    5.6434    0.0965   -0.1783 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2826    0.2848    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.9247    1.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    1.1329    1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325    1.7401    2.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6787    0.6339    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.0281   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -0.1956   -0.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -0.4992   -1.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.3401   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.3834    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0305    0.6327    0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.2661    1.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313    0.2152    0.0897 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9431   -0.4563   -1.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856   -0.5892    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3873   -0.8190    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258    0.7942    1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -0.7935    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    0.8338   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.6997   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -0.9933   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -1.3803   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    0.2565   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205    1.1262   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088   -0.3770   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -1.5941    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4190   -0.0898    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987   -1.4655    0.8563 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
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  1 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  0
 16 28  1  0
 17 29  1  0
M  END


  Mrv0541 02231219222D          

 18 19  0  0  1  0            999 V2000
   27.9585   -5.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3843   -4.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2361   -3.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3269   -3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8979   -5.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7789   -5.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3269   -5.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7789   -4.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6125   -4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9554   -4.6731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.6682   -4.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5264   -5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2393   -4.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5264   -4.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6125   -5.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0414   -5.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3269   -4.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0414   -4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 17  2  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 14  2  0  0  0  0
  8 18  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002109

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1

> <INCHI_IDENTIFIER>
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,15-16H,1-2H2,(H4,10,11,13,14,18)/t4-/m0/s1

> <INCHI_KEY>
QHNIUIKIRXYAAW-BYPYZUCNSA-N

> <FORMULA>
C9H11N5O4

> <MOLECULAR_WEIGHT>
253.2147

> <EXACT_MASS>
253.081103865

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
23.16680369041368

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-6-[(2S)-2,3-dihydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one

> <ALOGPS_LOGP>
-1.67

> <JCHEM_LOGP>
-2.415859179

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.52520321896288

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.929322658250758

> <JCHEM_PKA_STRONGEST_BASIC>
3.159787805268529

> <JCHEM_POLAR_SURFACE_AREA>
149.39999999999998

> <JCHEM_REFRACTIVITY>
69.0405

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-6-[(2S)-2,3-dihydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002109
     RDKit          3D
Hydroxysepiapterin
 29 30  0  0  0  0  0  0  0  0999 V2000
    5.6434    0.0965   -0.1783 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2826    0.2848    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.9247    1.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    1.1329    1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325    1.7401    2.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6787    0.6339    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.0281   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -0.1956   -0.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -0.4992   -1.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.3401   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.3834    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0305    0.6327    0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.2661    1.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313    0.2152    0.0897 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9431   -0.4563   -1.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856   -0.5892    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3873   -0.8190    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258    0.7942    1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -0.7935    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    0.8338   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.6997   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -0.9933   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -1.3803   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    0.2565   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205    1.1262   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088   -0.3770   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -1.5941    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4190   -0.0898    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987   -1.4655    0.8563 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
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  1 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  0
 16 28  1  0
 17 29  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      52.189 -10.263   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      54.851  -8.713   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      50.841  -6.418   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      45.410  -6.455   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      42.743 -11.075   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      48.121 -11.129   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      45.410 -11.075   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      48.121  -7.942   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      44.077  -8.765   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      52.183  -8.723   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      53.514  -7.948   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      49.516 -10.337   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      50.847  -7.958   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      49.516  -8.733   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      44.077 -10.305   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      46.744 -10.305   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      45.410  -7.995   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      46.744  -8.765   0.000  0.00  0.00           C+0
CONECT    1   10                                                            
CONECT    2   11                                                            
CONECT    3   13                                                            
CONECT    4   17                                                            
CONECT    5   15                                                            
CONECT    6   12   16                                                       
CONECT    7   15   16                                                       
CONECT    8   14   18                                                       
CONECT    9   15   17                                                       
CONECT   10    1   11   13                                                  
CONECT   11    2   10                                                       
CONECT   12    6   14                                                       
CONECT   13    3   10   14                                                  
CONECT   14    8   12   13                                                  
CONECT   15    5    7    9                                                  
CONECT   16    6    7   18                                                  
CONECT   17    4    9   18                                                  
CONECT   18    8   16   17                                                  
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

COMPND    HMDB0002109
HETATM    1  N1  UNL     1       5.643   0.096  -0.178  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.283   0.285   0.157  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.930   0.925   1.271  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.664   1.133   1.640  1.00  0.00           C  
HETATM    5  O1  UNL     1       2.332   1.740   2.697  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.679   0.634   0.778  1.00  0.00           C  
HETATM    7  C4  UNL     1       2.046  -0.028  -0.375  1.00  0.00           C  
HETATM    8  N3  UNL     1       3.339  -0.196  -0.673  1.00  0.00           N  
HETATM    9  N4  UNL     1       0.985  -0.499  -1.191  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.416  -0.340  -0.894  1.00  0.00           C  
HETATM   11  C6  UNL     1      -0.680   0.383   0.363  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.031   0.633   0.807  1.00  0.00           C  
HETATM   13  O2  UNL     1      -2.198   1.266   1.909  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.231   0.215   0.090  1.00  0.00           C  
HETATM   15  O3  UNL     1      -2.943  -0.456  -1.090  1.00  0.00           O  
HETATM   16  C9  UNL     1      -4.186  -0.589   0.949  1.00  0.00           C  
HETATM   17  O4  UNL     1      -5.387  -0.819   0.282  1.00  0.00           O  
HETATM   18  N5  UNL     1       0.326   0.794   1.068  1.00  0.00           N  
HETATM   19  H1  UNL     1       6.106  -0.793   0.091  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.165   0.834  -0.682  1.00  0.00           H  
HETATM   21  H3  UNL     1       3.565  -0.700  -1.550  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.232  -0.993  -2.064  1.00  0.00           H  
HETATM   23  H5  UNL     1      -0.832  -1.380  -0.860  1.00  0.00           H  
HETATM   24  H6  UNL     1      -0.832   0.256  -1.746  1.00  0.00           H  
HETATM   25  H7  UNL     1      -3.821   1.126  -0.225  1.00  0.00           H  
HETATM   26  H8  UNL     1      -3.709  -0.377  -1.684  1.00  0.00           H  
HETATM   27  H9  UNL     1      -3.711  -1.594   1.101  1.00  0.00           H  
HETATM   28  H10 UNL     1      -4.419  -0.090   1.888  1.00  0.00           H  
HETATM   29  H11 UNL     1      -5.899  -1.466   0.856  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   18
CONECT    7    8    9
CONECT    8   21
CONECT    9   10   22
CONECT   10   11   23   24
CONECT   11   12   18   18
CONECT   12   13   13   14
CONECT   14   15   16   25
CONECT   15   26
CONECT   16   17   27   28
CONECT   17   29
END

HMDB0002109
     RDKit          3D
Hydroxysepiapterin
 29 30  0  0  0  0  0  0  0  0999 V2000
    5.6434    0.0965   -0.1783 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2826    0.2848    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9296    0.9247    1.2708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    1.1329    1.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3325    1.7401    2.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6787    0.6339    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -0.0281   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3387   -0.1956   -0.6730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -0.4992   -1.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -0.3401   -0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.3834    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0305    0.6327    0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.2661    1.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2313    0.2152    0.0897 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9431   -0.4563   -1.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856   -0.5892    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3873   -0.8190    0.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258    0.7942    1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1056   -0.7935    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    0.8338   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653   -0.6997   -1.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2318   -0.9933   -2.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318   -1.3803   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    0.2565   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205    1.1262   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088   -0.3770   -1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -1.5941    1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4190   -0.0898    1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987   -1.4655    0.8563 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
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 11 18  2  0
  8  2  1  0
 18  6  1  0
  1 19  1  0
  1 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  0
 16 28  1  0
 17 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3'-Hydroxysepiapterin	HMDB, MeSH

Chemical Formula

C₉H₁₁N₅O₄

Average Molecular Weight

253.2147

Monoisotopic Molecular Weight

253.081103865

IUPAC Name

2-amino-6-[(2S)-2,3-dihydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one

Traditional Name

2-amino-6-[(2S)-2,3-dihydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one

CAS Registry Number

75762-47-9

SMILES

NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1

InChI Identifier

InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,15-16H,1-2H2,(H4,10,11,13,14,18)/t4-/m0/s1

InChI Key

QHNIUIKIRXYAAW-BYPYZUCNSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Pterins and derivatives

Alternative Parents

Substituents

Pterin
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Monosaccharide
Acyloin
Beta-hydroxy ketone
Pyrimidine
Alpha-hydroxy ketone
Heteroaromatic compound
Vinylogous amide
Ketimine
Secondary alcohol
Ketone
1,2-diol
Azacycle
Secondary amine
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Primary amine
Imine
Carbonyl group
Hydrocarbon derivative
Organic oxide
Amine
Organopnictogen compound
Alcohol
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

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	1.7 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.4	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	7.93	ChemAxon
pKa (Strongest Basic)	3.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	149.4 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	69.04 m³·mol⁻¹	ChemAxon
Polarizability	23.17 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	158.207	31661259
DarkChem	[M-H]-	157.411	31661259
DeepCCS	[M+H]+	162.29	30932474
DeepCCS	[M-H]-	159.932	30932474
DeepCCS	[M-2H]-	192.818	30932474
DeepCCS	[M+Na]+	168.384	30932474
AllCCS	[M+H]+	154.9	32859911
AllCCS	[M+H-H2O]+	151.3	32859911
AllCCS	[M+NH4]+	158.3	32859911
AllCCS	[M+Na]+	159.3	32859911
AllCCS	[M-H]-	155.0	32859911
AllCCS	[M+Na-2H]-	154.8	32859911
AllCCS	[M+HCOO]-	154.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hydroxysepiapterin	NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1	3735.9	Standard polar	33892256
Hydroxysepiapterin	NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1	2656.6	Standard non polar	33892256
Hydroxysepiapterin	NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1	3050.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hydroxysepiapterin,1TMS,isomer #1	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2626.5	Semi standard non polar	33892256
Hydroxysepiapterin,1TMS,isomer #2	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2621.8	Semi standard non polar	33892256
Hydroxysepiapterin,1TMS,isomer #3	C[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N)=NC2=O)=C(O)CO	2690.5	Semi standard non polar	33892256
Hydroxysepiapterin,1TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)[NH]1	2706.4	Semi standard non polar	33892256
Hydroxysepiapterin,1TMS,isomer #5	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N)=NC2=O	2528.2	Semi standard non polar	33892256
Hydroxysepiapterin,1TMS,isomer #6	C[Si](C)(C)N1C(N)=NC(=O)C2=C1NCC(C(=O)[C@@H](O)CO)=N2	2650.6	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #1	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2566.3	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO)=N2)[NH]1	2673.7	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #11	C[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O)=C(O)CO	2586.9	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #12	C[Si](C)(C)OC(C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1)=C(O)CO	2519.5	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #13	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)[NH]1)[Si](C)(C)C	2648.9	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C	2621.8	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO)=N2	2539.4	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #16	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C)C(N)=NC2=O	2519.9	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #2	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2654.1	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)[NH]1	2598.6	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #4	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2543.9	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #5	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2451.1	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #6	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2638.7	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)[NH]1	2624.6	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #8	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2566.4	Semi standard non polar	33892256
Hydroxysepiapterin,2TMS,isomer #9	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2444.9	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2630.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2595.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	4429.3	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2	2493.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2	2739.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2	4665.7	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2445.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2675.3	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	4284.8	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)[NH]1	2644.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)[NH]1	2729.6	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)[NH]1	5032.0	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2591.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2661.9	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	4430.5	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #14	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2476.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #14	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2691.6	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #14	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	4206.0	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2568.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2793.5	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4813.9	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2572.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2766.5	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	4926.5	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2	2490.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2	2756.0	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2	4674.8	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #18	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2448.0	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #18	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2669.6	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #18	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	4267.7	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #19	C[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2635.9	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #19	C[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2764.2	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #19	C[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	4801.9	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2537.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2737.4	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	5136.8	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	2633.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	2720.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	4901.7	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2	2572.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2	2740.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2	4673.2	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O)=C(O)CO	2528.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O)=C(O)CO	2675.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O)=C(O)CO	4278.8	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #23	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C)[Si](C)(C)C	2624.9	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #23	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C)[Si](C)(C)C	2806.5	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #23	C[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C)[Si](C)(C)C	4858.0	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #24	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2505.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #24	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2775.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #24	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4567.1	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C	2547.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C	2784.6	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C	4539.4	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2518.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2637.9	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #3	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	4533.5	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2433.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2666.9	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	4305.2	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)[NH]1	2655.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)[NH]1	2648.0	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)[NH]1	5062.4	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #6	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2587.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #6	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2597.2	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #6	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	4475.0	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #7	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2488.0	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #7	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2643.7	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #7	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	4240.1	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #8	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2564.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #8	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2810.1	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #8	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4811.1	Standard polar	33892256
Hydroxysepiapterin,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2549.7	Semi standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2782.5	Standard non polar	33892256
Hydroxysepiapterin,3TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4924.2	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2640.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	2673.6	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)[NH]1	4870.5	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2	2594.9	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2	2715.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2	4432.3	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #11	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2527.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #11	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2694.0	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #11	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	4067.6	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #12	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2600.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #12	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2866.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #12	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4379.5	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #13	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2530.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #13	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2825.6	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #13	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	4264.3	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2508.8	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2813.8	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4233.6	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #15	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2644.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #15	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2799.9	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #15	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4490.9	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2641.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2761.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	4634.3	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2	2577.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2	2753.9	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #17	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2	4421.9	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #18	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2528.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #18	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2717.5	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #18	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	4045.2	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #19	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2610.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #19	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2814.2	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #19	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4382.1	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2575.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	2641.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N)=NC2=O	4295.2	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #20	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2519.3	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #20	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2811.4	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #20	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	4271.8	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2513.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2808.5	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	4241.5	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2669.8	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2804.8	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #22	C[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	4375.8	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #23	C[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1)=C(O)CO	2592.8	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #23	C[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1)=C(O)CO	2818.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #23	C[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1)=C(O)CO	4271.4	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	2596.0	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	2791.9	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #24	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C	4245.2	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #25	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2580.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #25	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2846.6	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #25	C[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4116.4	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2510.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	2668.3	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C)C1	4091.6	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2577.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2807.7	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4612.4	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2535.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2778.4	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4741.5	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2509.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2756.7	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2	4506.8	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #7	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2453.9	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #7	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2698.5	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #7	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	4133.3	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2662.5	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2744.6	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4508.1	Standard polar	33892256
Hydroxysepiapterin,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2627.7	Semi standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2699.1	Standard non polar	33892256
Hydroxysepiapterin,4TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4648.2	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2692.1	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2756.5	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4344.0	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2620.5	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2785.1	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3986.2	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2606.3	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2908.0	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #11	C[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3809.8	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #12	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2692.9	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #12	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2825.0	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #12	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4096.0	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2622.6	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2837.2	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #13	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	4014.0	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2622.5	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	2804.9	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #14	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(O)CO[Si](C)(C)C)=N2)N1[Si](C)(C)C	3980.9	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2610.2	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2872.7	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #15	C[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3815.9	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #16	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2671.6	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #16	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	2891.0	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #16	C[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)=C(O)CO	3840.0	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2645.9	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2727.7	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4494.8	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2617.0	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2	2724.8	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2	4269.5	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2541.5	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	2726.8	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N)=NC2=O	3962.9	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #5	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2621.4	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #5	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2836.4	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #5	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4207.2	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2575.6	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2844.1	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #6	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	4111.9	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2557.8	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2815.4	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	4052.0	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2695.0	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2789.4	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #8	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	4104.8	Standard polar	33892256
Hydroxysepiapterin,5TMS,isomer #9	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2642.0	Semi standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #9	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2821.3	Standard non polar	33892256
Hydroxysepiapterin,5TMS,isomer #9	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	4019.7	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2717.9	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2817.1	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3965.4	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2683.8	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	2843.5	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)N([Si](C)(C)C)C1	3888.2	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2662.9	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	2809.0	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C)CC(C(O[Si](C)(C)C)=C(CO[Si](C)(C)C)O[Si](C)(C)C)=N2)N1[Si](C)(C)C	3833.9	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2655.1	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2921.3	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #4	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3682.3	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #5	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2712.4	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #5	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2908.0	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #5	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3616.0	Standard polar	33892256
Hydroxysepiapterin,6TMS,isomer #6	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2712.2	Semi standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #6	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2912.0	Standard non polar	33892256
Hydroxysepiapterin,6TMS,isomer #6	C[Si](C)(C)OCC(O)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3617.4	Standard polar	33892256
Hydroxysepiapterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2759.4	Semi standard non polar	33892256
Hydroxysepiapterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	2932.6	Standard non polar	33892256
Hydroxysepiapterin,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C1=NC2=C(N([Si](C)(C)C)C1)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O	3508.5	Standard polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2839.7	Semi standard non polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2851.5	Semi standard non polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N)=NC2=O)=C(O)CO	2936.5	Semi standard non polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)[NH]1	2889.5	Semi standard non polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N)=NC2=O	2777.2	Semi standard non polar	33892256
Hydroxysepiapterin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C(N)=NC(=O)C2=C1NCC(C(=O)[C@@H](O)CO)=N2	2869.9	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N)=NC2=O	2998.4	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)[NH]1	3086.3	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O)=C(O)CO	3057.3	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1)=C(O)CO	2973.6	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)[NH]1)[Si](C)(C)C(C)(C)C	3025.0	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3040.3	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO)=N2	2938.5	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	2922.6	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	3087.7	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	2994.3	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3002.7	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	2875.2	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N)=NC2=O	3104.8	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)[NH]1	3007.0	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3014.4	Semi standard non polar	33892256
Hydroxysepiapterin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	2872.3	Semi standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(NC1)[NH]C(N)=NC2=O	3251.2	Semi standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(NC1)[NH]C(N)=NC2=O	3120.2	Standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(NC1)[NH]C(N)=NC2=O	4357.6	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	3067.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	3371.6	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2	4642.8	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3091.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3279.4	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4240.2	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)[NH]1	3274.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)[NH]1	3304.6	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)[NH]1	4980.9	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3285.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3213.5	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4352.3	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3125.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3228.4	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4232.9	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3139.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3408.6	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4710.9	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3208.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3362.7	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4752.6	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	3065.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	3357.2	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2	4668.4	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3097.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3255.0	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4238.6	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3230.1	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3331.3	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	4685.5	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3160.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3396.4	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	5052.2	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3275.2	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3276.6	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	4724.8	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2	3167.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2	3317.2	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2	4653.4	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O)=C(O)CO	3177.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O)=C(O)CO	3245.4	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O)=C(O)CO	4266.6	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3217.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3399.6	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4628.3	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3111.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3348.5	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4508.0	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3141.4	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3378.7	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO)=N2)N1[Si](C)(C)C(C)(C)C	4430.2	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3194.7	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3255.1	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4399.3	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3036.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3267.9	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4275.2	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3265.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	3216.8	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)[NH]1	4969.3	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3266.6	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3129.3	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4357.6	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3108.5	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3163.8	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4235.4	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3127.8	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3459.2	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4687.7	Standard polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3183.3	Semi standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3406.2	Standard non polar	33892256
Hydroxysepiapterin,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4731.4	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)[NH]1	3436.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)[NH]1	3357.2	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)[NH]1	4832.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2	3331.9	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2	3419.5	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2	4422.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3376.5	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3358.9	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4125.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3357.0	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3598.1	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4251.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3248.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3556.5	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4257.3	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3304.8	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3558.1	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4195.1	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3400.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3485.3	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4451.1	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3466.5	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3405.5	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4521.8	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2	3347.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2	3461.4	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2	4438.4	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3385.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3404.4	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4125.6	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3377.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3543.6	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4267.2	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,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)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3452.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,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)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3273.2	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,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)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4250.2	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3248.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3532.5	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4277.2	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3317.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3529.4	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@@H](O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4214.0	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3454.3	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3467.3	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	4258.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1)=C(O)CO	3360.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1)=C(O)CO	3521.8	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1)=C(O)CO	4268.4	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3392.9	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	3483.1	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO)=N2)N1[Si](C)(C)C(C)(C)C	4213.8	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3351.6	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3562.4	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N1CC(C(=O)[C@@H](O)CO)=NC2=C1N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4081.3	Standard polar	33892256
Hydroxysepiapterin,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)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3291.0	Semi standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3297.3	Standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C([NH]C(N)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4131.5	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3319.1	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3600.9	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4526.7	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3377.4	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3513.1	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4594.0	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3255.5	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	3518.3	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2	4497.2	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3305.8	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3433.0	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4155.8	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3369.9	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3422.1	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4437.1	Standard polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3445.2	Semi standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3340.7	Standard non polar	33892256
Hydroxysepiapterin,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4508.2	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,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)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3556.3	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,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)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3559.4	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,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)C1=NC2=C(NC1)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4340.0	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3549.2	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3578.0	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(CO)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4070.4	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3517.3	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3749.7	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H](CO)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3934.1	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3621.6	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3591.5	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4123.8	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3519.9	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3687.7	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4125.3	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3565.6	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3613.3	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(O[Si](C)(C)C(C)(C)C)=C(O)CO[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4079.5	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3527.8	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3724.1	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H](O)C(=O)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3946.1	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3609.5	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3700.0	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)=C(O)CO	3958.4	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)N1[Si](C)(C)C(C)(C)C	3613.2	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)N1[Si](C)(C)C(C)(C)C	3473.2	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(NCC(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)=N2)N1[Si](C)(C)C(C)(C)C	4419.2	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(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)=N2	3495.4	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(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)=N2	3552.0	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C([NH]1)N([Si](C)(C)C(C)(C)C)CC(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)=N2	4326.2	Standard polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3549.5	Semi standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	3500.3	Standard non polar	33892256
Hydroxysepiapterin,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)C1=NC2=C(N([Si](C)(C)C(C)(C)C)C1)N([Si](C)(C)C(C)(C)C)C(N)=NC2=O	4105.3	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3554.8	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3694.1	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4167.0	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3449.3	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3724.3	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4168.1	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3493.1	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	3685.6	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=C(N([Si](C)(C)C(C)(C)C)CC(C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C	4112.2	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3596.5	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	3545.2	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C(NC1)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O	4115.0	Standard polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3495.2	Semi standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	3656.7	Standard non polar	33892256
Hydroxysepiapterin,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C1=NC2=C([NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)N([Si](C)(C)C(C)(C)C)C1	4114.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysepiapterin GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9310000000-55758cdd91cca52ec966	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysepiapterin GC-MS (2 TMS) - 70eV, Positive	splash10-01q9-3923000000-994717aedc650620e7e1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysepiapterin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysepiapterin 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 - Hydroxysepiapterin 10V, Positive-QTOF	splash10-0udi-0090000000-a04c7d4cf8ae6f6b5aa1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 20V, Positive-QTOF	splash10-03di-0950000000-8dfdc7a2468a9c36222c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 40V, Positive-QTOF	splash10-03di-9610000000-355d107a27bac3125a30	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 10V, Negative-QTOF	splash10-0udl-0490000000-04e2c9c25bc007a3d490	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 20V, Negative-QTOF	splash10-01ox-4940000000-400ecd905443e25141bb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 40V, Negative-QTOF	splash10-0a4l-9200000000-ebbb190c08d328f6df40	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 10V, Negative-QTOF	splash10-0006-0900000000-8edabb841e8496fe04d6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 20V, Negative-QTOF	splash10-0006-0900000000-09b859646830891609e1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 40V, Negative-QTOF	splash10-006x-7900000000-7f00c3442884422393ae	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 10V, Positive-QTOF	splash10-0udi-0090000000-e9cb2ce6e84a2153fa12	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 20V, Positive-QTOF	splash10-0uy0-0390000000-645dab7e16e2bd41527e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysepiapterin 40V, Positive-QTOF	splash10-0fbl-1910000000-0b6b1ed44eefaae58639	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB022849

KNApSAcK ID

Not Available

Chemspider ID

169765

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6491

PubChem Compound

195856

PDB ID

Not Available

ChEBI ID

166568

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

Niederwieser A, Curtius HC, Gitzelmann R, Otten A, Baerlocher K, Blehova B, Berlow S, Grobe H, Rey F, Schaub J, Scheibenreiter S, Schmidt H, Viscontini M: Excretion of pterins in phenylketonuria and phenylketonuria variants. Helv Paediatr Acta. 1980 Sep;35(4):335-42. [PubMed:7005193 ]

Showing metabocard for Hydroxysepiapterin (HMDB0002109)

MOL for HMDB0002109 (Hydroxysepiapterin)

3D MOL for HMDB0002109 (Hydroxysepiapterin)

3D SDF for HMDB0002109 (Hydroxysepiapterin)

3D-SDF for HMDB0002109 (Hydroxysepiapterin)

PDB for HMDB0002109 (Hydroxysepiapterin)

3D PDB for HMDB0002109 (Hydroxysepiapterin)

SMILES for HMDB0002109 (Hydroxysepiapterin)

INCHI for HMDB0002109 (Hydroxysepiapterin)

Structure for HMDB0002109 (Hydroxysepiapterin)

3D Structure for HMDB0002109 (Hydroxysepiapterin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra