Marvin  08111015362D          

 22 24  0  0  1  0            999 V2000
   15.9334  -11.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9334  -10.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6475  -11.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2159  -11.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6475   -9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2159   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3616  -11.0176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6475  -12.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5053  -11.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2159  -12.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3616  -10.1932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5053  -10.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0792  -11.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0792   -9.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7877   -9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0757   -8.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7898  -10.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7898   -8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5075   -9.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5075   -8.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7898   -7.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2216   -8.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
 11 14  1  1  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <ID>
CHEBI:32330

> <NAME>
(+)-epitaxifolin

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

> <STAR>
3

> <SYNONYM>
cis-Dihydroquercetin; (2S,3R)-dihydroquercetin; (+)-(2S,3R)-epitaxifolin

> <IUPAC_NAME>
(2S,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-GJZGRUSLSA-N

> <REAXYS_REGISTRY_NUMBER>
5765540

> <KEGG_COMPOUND_ACCESSION>
C12316

> <PUBMED_CITATION>
17193298

$$$$