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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-08-31 22:28:41 UTC

Update Date

2021-09-26 22:48:58 UTC

HMDB ID

HMDB0242509

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

Description

taxifolin belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively. Based on a literature review a significant number of articles have been published on taxifolin. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2r)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0258748
     RDKit          3D
Taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
    1.7250   -0.3821   -3.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -0.4580   -1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.1180   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199   -0.2279   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327   -0.6709   -2.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    0.1229   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    0.5610    1.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    0.9097    2.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958    0.6623    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    0.3254    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347    0.4326    0.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446    0.2731   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339    0.1610   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126   -0.7811   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157   -0.8388   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605    0.0533    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7918   -0.0378    1.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108    0.9998    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738    1.8983    2.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.0377    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.8743   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1997   -2.0027   -0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.9638   -3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6478    0.0231   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736    0.1491    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    1.0089    2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    1.1872   -1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.5102   -1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166   -1.5700   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4307   -0.7149    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    2.5921    2.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555    1.7933    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -1.1446   -2.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -1.8955    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  0
 22 34  1  0
M  END

  Mrv1652308171918032D          

 22 24  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  1  0  0  0  0
 22 11  1  0  0  0  0
 22 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0242509

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H

> <INCHI_KEY>
CXQWRCVTCMQVQX-UHFFFAOYSA-N

> <FORMULA>
C15H12O7

> <MOLECULAR_WEIGHT>
304.254

> <EXACT_MASS>
304.058302726

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
28.937239022762107

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
1.8163842679999997

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.00135173078782

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.742826994062549

> <JCHEM_PKA_STRONGEST_BASIC>
-4.04060800501074

> <JCHEM_POLAR_SURFACE_AREA>
127.45000000000002

> <JCHEM_REFRACTIVITY>
74.6089

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
taxifolin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258748
     RDKit          3D
Taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
    1.7250   -0.3821   -3.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -0.4580   -1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.1180   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199   -0.2279   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327   -0.6709   -2.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    0.1229   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    0.5610    1.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    0.9097    2.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958    0.6623    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    0.3254    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347    0.4326    0.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446    0.2731   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339    0.1610   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126   -0.7811   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157   -0.8388   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605    0.0533    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7918   -0.0378    1.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108    0.9998    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738    1.8983    2.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.0377    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.8743   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1997   -2.0027   -0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.9638   -3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6478    0.0231   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736    0.1491    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    1.0089    2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    1.1872   -1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.5102   -1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166   -1.5700   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4307   -0.7149    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    2.5921    2.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555    1.7933    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -1.1446   -2.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -1.8955    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  0
 22 34  1  0
M  END

HEADER    PROTEIN                                 17-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-AUG-19         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    8                                                       
CONECT    3    6    9                                                       
CONECT    4    7   10                                                       
CONECT    5    7   11                                                       
CONECT    6    1    3   15                                                  
CONECT    7    4    5   16                                                  
CONECT    8    2    9   17                                                  
CONECT    9    3    8   18                                                  
CONECT   10    4   12   19                                                  
CONECT   11    5   12   22                                                  
CONECT   12   10   11   13                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15   21                                                  
CONECT   15    6   14   22                                                  
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   13                                                            
CONECT   21   14                                                            
CONECT   22   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

COMPND    HMDB0251327
HETATM    1  O1  UNL     1      -1.984  -2.876  -0.383  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.510  -1.769  -0.030  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.411  -0.619  -0.041  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.757  -0.708   0.119  1.00  0.00           C  
HETATM    5  O2  UNL     1      -4.381  -1.909   0.313  1.00  0.00           O  
HETATM    6  C4  UNL     1      -4.515   0.480   0.084  1.00  0.00           C  
HETATM    7  C5  UNL     1      -3.945   1.714  -0.105  1.00  0.00           C  
HETATM    8  O3  UNL     1      -4.761   2.828  -0.126  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.580   1.746  -0.261  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.795   0.613  -0.234  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.438   0.584  -0.385  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.320  -0.278   0.480  1.00  0.00           C  
HETATM   13  C9  UNL     1       1.725  -0.020   0.133  1.00  0.00           C  
HETATM   14  C10 UNL     1       2.621   0.123   1.162  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.962   0.368   0.946  1.00  0.00           C  
HETATM   16  C12 UNL     1       4.406   0.470  -0.355  1.00  0.00           C  
HETATM   17  O5  UNL     1       5.747   0.715  -0.601  1.00  0.00           O  
HETATM   18  C13 UNL     1       3.518   0.329  -1.421  1.00  0.00           C  
HETATM   19  O6  UNL     1       4.019   0.441  -2.704  1.00  0.00           O  
HETATM   20  C14 UNL     1       2.185   0.085  -1.162  1.00  0.00           C  
HETATM   21  C15 UNL     1      -0.082  -1.710   0.367  1.00  0.00           C  
HETATM   22  O7  UNL     1       0.009  -2.304   1.626  1.00  0.00           O  
HETATM   23  H1  UNL     1      -4.026  -2.807   0.376  1.00  0.00           H  
HETATM   24  H2  UNL     1      -5.595   0.352   0.218  1.00  0.00           H  
HETATM   25  H3  UNL     1      -4.416   3.760  -0.259  1.00  0.00           H  
HETATM   26  H4  UNL     1      -2.091   2.704  -0.413  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.177   0.021   1.554  1.00  0.00           H  
HETATM   28  H6  UNL     1       2.319   0.051   2.217  1.00  0.00           H  
HETATM   29  H7  UNL     1       4.644   0.476   1.797  1.00  0.00           H  
HETATM   30  H8  UNL     1       6.386   0.817   0.154  1.00  0.00           H  
HETATM   31  H9  UNL     1       4.998   0.620  -2.868  1.00  0.00           H  
HETATM   32  H10 UNL     1       1.486  -0.026  -2.005  1.00  0.00           H  
HETATM   33  H11 UNL     1       0.559  -2.293  -0.328  1.00  0.00           H  
HETATM   34  H12 UNL     1      -0.792  -1.976   2.134  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4    4   10
CONECT    4    5    6
CONECT    5   23
CONECT    6    7    7   24
CONECT    7    8    9
CONECT    8   25
CONECT    9   10   10   26
CONECT   10   11
CONECT   11   12
CONECT   12   13   21   27
CONECT   13   14   14   20
CONECT   14   15   28
CONECT   15   16   16   29
CONECT   16   17   18
CONECT   17   30
CONECT   18   19   20   20
CONECT   19   31
CONECT   20   32
CONECT   21   22   33
CONECT   22   34
END

HMDB0258748
     RDKit          3D
Taxifolin
 34 36  0  0  0  0  0  0  0  0999 V2000
    1.7250   -0.3821   -3.0943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -0.4580   -1.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3691   -0.1180   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7199   -0.2279   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327   -0.6709   -2.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    0.1229   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552    0.5610    1.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    0.9097    2.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6958    0.6623    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    0.3254    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347    0.4326    0.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4446    0.2731   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339    0.1610   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7126   -0.7811   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157   -0.8388   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605    0.0533    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7918   -0.0378    1.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6108    0.9998    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738    1.8983    2.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    1.0377    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.8743   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1997   -2.0027   -0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.9638   -3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6478    0.0231   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1736    0.1491    2.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    1.0089    2.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    1.1872   -1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.5102   -1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166   -1.5700   -0.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4307   -0.7149    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4089    2.5921    2.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555    1.7933    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -1.1446   -2.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -1.8955    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 21  2  1  0
 10  3  1  0
 20 13  1  0
  5 23  1  0
  6 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  0
 14 28  1  0
 15 29  1  0
 17 30  1  0
 19 31  1  0
 20 32  1  0
 21 33  1  0
 22 34  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Taxifolin	MeSH, HMDB

Chemical Formula

C₁₅H₁₂O₇

Average Molecular Weight

304.254

Monoisotopic Molecular Weight

304.058302726

IUPAC Name

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

taxifolin

CAS Registry Number

Not Available

SMILES

OC1C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H

InChI Key

CXQWRCVTCMQVQX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Flavanonols

Alternative Parents

Substituents

Hydroxyflavonoid
Flavanonol
3'-hydroxyflavonoid
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Chromone
Benzopyran
1-benzopyran
Chromane
Catechol
Aryl alkyl ketone
Aryl ketone
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

3'-hydroxyflavanones (CHEBI:38747 )
dihydroflavonols (CHEBI:38747 )
pentahydroxyflavanone (CHEBI:38747 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

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
logP	1.07	ALOGPS
logP	1.82	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	7.74	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	127.45 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	74.61 m³·mol⁻¹	ChemAxon
Polarizability	28.94 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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
DeepCCS	[M+H]+	171.639	30932474
DeepCCS	[M-H]-	169.281	30932474
DeepCCS	[M-2H]-	202.962	30932474
DeepCCS	[M+Na]+	178.189	30932474
AllCCS	[M+H]+	170.3	32859911
AllCCS	[M+H-H2O]+	166.7	32859911
AllCCS	[M+NH4]+	173.6	32859911
AllCCS	[M+Na]+	174.6	32859911
AllCCS	[M-H]-	168.0	32859911
AllCCS	[M+Na-2H]-	167.4	32859911
AllCCS	[M+HCOO]-	166.9	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #1	C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	3107.4	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #1	C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	2883.6	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #1	C[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	4467.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	3171.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	2909.4	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	4440.5	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	3164.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	2935.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	4580.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	3195.8	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	2911.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	4600.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	3205.4	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	2923.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	4456.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3056.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	2972.9	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3776.0	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C	3075.0	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C	2959.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C	3790.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	2982.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	2948.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	3736.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O	3053.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O	2958.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O	3802.8	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	3038.7	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	2964.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	3830.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3070.0	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	2982.4	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3757.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3144.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	2966.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3808.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3120.4	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	2968.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3839.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O	3122.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O	2983.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O	3848.5	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)=CC=C1O	3115.4	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)=CC=C1O	2984.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)=CC=C1O	3897.0	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	2921.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3011.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3401.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C	3018.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C	2992.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C	3507.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O	2962.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O	3018.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O	3479.0	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	2966.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	3024.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #3	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)=CC=C1O	3475.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	2924.9	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	2987.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	3472.5	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	2909.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3000.7	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	3465.8	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	2939.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	2981.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3461.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3062.9	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3006.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3502.8	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3056.8	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3016.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #8	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3504.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3010.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	2982.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3499.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	2960.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3051.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1	3253.8	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	2943.9	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3061.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3244.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	2938.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3047.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(=O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3249.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	2904.3	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3002.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	3240.8	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3018.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	2997.0	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TMS,isomer #5	C[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3282.5	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	2969.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3070.9	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1	3094.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	3410.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	3120.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(=O)C2=C(O)C=C(O)C=C2OC1C1=CC=C(O)C(O)=C1	4385.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	3436.9	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	3153.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O)=C3)OC2=C1	4335.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	3430.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	3175.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O)C(C1=CC=C(O)C(O)=C1)O2	4413.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	3455.4	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	3157.5	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)=CC=C1O	4415.0	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	3472.8	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	3176.5	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O	4336.3	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3628.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3438.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3815.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3617.7	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3467.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3856.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	3557.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	3416.7	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)OC2=C1	3800.3	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3609.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3446.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3854.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3590.3	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3449.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3845.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3602.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3446.9	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3813.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3665.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3470.5	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3864.9	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3634.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3467.4	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3860.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O	3648.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O	3476.9	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O	3875.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)=CC=C1O	3625.8	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)=CC=C1O	3471.3	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)=CC=C1O	3872.7	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3684.0	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3664.4	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3629.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3766.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3694.7	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O)C=C1O[Si](C)(C)C(C)(C)C	3705.0	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3723.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3707.8	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O	3686.6	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3700.7	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3706.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	3671.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3719.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3679.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	3684.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3693.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3684.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3669.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3683.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3679.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3676.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3814.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3693.5	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3706.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3788.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3699.9	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3696.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3762.2	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3684.1	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3702.2	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3887.8	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3883.6	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3577.1	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3860.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3890.5	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3563.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3837.5	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3890.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	3562.3	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3838.1	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3852.7	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	3556.3	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3900.9	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3837.2	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3586.4	Standard polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3996.6	Semi standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	4024.4	Standard non polar	33892256
(2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1	3533.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one GC-MS (5 TMS) - 70eV, Positive	splash10-0und-2590067000-e9e9cfda50520b45784e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one GC-MS (Non-derivatized) - 70eV, Positive	splash10-0079-0950000000-ac105a1ddf582d61c0da	2017-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one 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
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 6V, Negative-QTOF	splash10-004i-0940000000-8ba3c1026e15a90fc483	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Negative-QTOF	splash10-0a6r-6900000000-e8d1cdd81e809258f27d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Negative-QTOF	splash10-0fi0-0900000000-e111605e3aa4c369782e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Negative-QTOF	splash10-004i-0930000000-519b6f8e7393708459ae	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Negative-QTOF	splash10-002r-0691000000-b158d8d49f20e9ce6557	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Negative-QTOF	splash10-004i-0920000000-b2c6ed4f7e5bf8d687ba	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Negative-QTOF	splash10-002r-0592000000-9430ef32b09f39ab3cbe	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Positive-QTOF	splash10-0a4i-0792000000-9fbbe1c911d7e2183245	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Positive-QTOF	splash10-0ul1-0950000000-cafcc95aa1ba1c827727	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Positive-QTOF	splash10-0fk9-1900000000-f5849f3f1081f7cda96c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Positive-QTOF	splash10-0pb9-0791000000-6022ee3764e3ad8f5fe6	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Negative-QTOF	splash10-0udi-0109000000-3a78056a4a874640934b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Negative-QTOF	splash10-0udi-0934000000-bc57080f7c01311b3cf9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Negative-QTOF	splash10-0a6r-2920000000-8c30271ca1254de3a233	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Negative-QTOF	splash10-0udi-0009000000-282eb959ad4260bb8a2a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Negative-QTOF	splash10-0udi-0908000000-2af52b9f6f041867133a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Negative-QTOF	splash10-0udi-0900000000-13b7793bd4fd86608ff9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Positive-QTOF	splash10-0a4i-0119000000-b3736736d7ae272714a6	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Positive-QTOF	splash10-0kii-0932000000-aea088e3d5ae359c6ea3	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Positive-QTOF	splash10-05g0-5900000000-c9bc73b1e4811ea1dedb	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 10V, Positive-QTOF	splash10-0a4i-0009000000-af408fd7a67d4a98dd0c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 20V, Positive-QTOF	splash10-0zfs-0904000000-54510300073f1d00a76c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one 40V, Positive-QTOF	splash10-0udi-0900000000-ac83d3c90cf7c1112b2f	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

FDB084283

KNApSAcK ID

C00000677

Chemspider ID

458

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Taxifolin

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

38747

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one (HMDB0242509)

MOL for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

3D MOL for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

3D SDF for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

3D-SDF for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

PDB for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

3D PDB for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

SMILES for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

INCHI for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

Structure for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

3D Structure for HMDB0242509 ((2R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra