Marvin  12130714092D          

 22 24  0  0  0  0            999 V2000
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  6  0  0  0
  4 21  1  0  0  0  0
 21  5  1  0  0  0  0
 12  5  2  0  0  0  0
 17  6  2  0  0  0  0
  6 19  1  0  0  0  0
  1 19  2  0  0  0  0
  7 17  1  0  0  0  0
  7  2  2  0  0  0  0
  5  7  1  0  0  0  0
  9  8  2  0  0  0  0
 11  8  1  0  0  0  0
 10  9  1  0  0  0  0
 15 10  2  0  0  0  0
 13 15  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <ID>
CHEBI:17948

> <NAME>
(+)-taxifolin

> <DEFINITION>
A taxifolin that has (2R,3R)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42225; CHEBI:9415; CHEBI:15206; CHEBI:23764; CHEBI:28466

> <SYNONYM>
trans-Dihydroquercetin; Taxifolin; Dihydroquercetin; (2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone; (2R,3R)-dihydroquercetin; (2R,3R)-dihydroquercetin; (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one; (+)-Taxifolin; (+)-Dihydroquercetin

> <IUPAC_NAME>
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C15H12O7

> <MASS>
304.25160

> <MONOISOTOPIC_MASS>
304.05830

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1

> <INCHI>
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/t14-,15+/m0/s1

> <INCHIKEY>
CXQWRCVTCMQVQX-LSDHHAIUSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
93548

> <CAS_REGISTRY_NUMBER>
480-18-2

> <CHEMIDPLUS>
480-18-2

> <DRUGBANK_ACCESSION>
DB02224

> <KEGG_COMPOUND_ACCESSION>
C01617

> <KNAPSACK_ACCESSION>
C00000677

> <LINCS_ACCESSION>
LSM-5990

> <PDBECHEM_ACCESSION>
DQH

> <WIKIPEDIA_ACCESSION>
Taxifolin

$$$$