Marvin  10180511432D          

 19 21  0  0  0  0            999 V2000
   -1.7674   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7674    1.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529    0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3760    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -1.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0905   -1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818    0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    1.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384    1.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -1.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339   -1.5197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -1.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2 13  1  0  0  0  0
 13  3  2  0  0  0  0
  3  5  1  0  0  0  0
 18  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 15  1  0  0  0  0
 18  7  1  0  0  0  0
 15  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
 11  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 12  2  0  0  0  0
 16 10  2  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <ID>
CHEBI:28197

> <NAME>
daidzein

> <DEFINITION>
A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4306; CHEBI:23558

> <SYNONYM>
isoaurostatin; daidzeol; Daidzein; 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 7,4'-dihydroxyisoflavone; 4',7-dihydroxyisoflavone; 4',7-dihydroxyisoflavone

> <IUPAC_NAME>
7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

> <FORMULA>
C15H10O4

> <MASS>
254.23750

> <MONOISOTOPIC_MASS>
254.05791

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O

> <INCHI>
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

> <INCHIKEY>
ZQSIJRDFPHDXIC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
231523

> <CAS_REGISTRY_NUMBER>
486-66-8

> <REAXYS_REGISTRY_NUMBER>
231523

> <CHEMIDPLUS>
486-66-8

> <KEGG_COMPOUND_ACCESSION>
C10208

> <KNAPSACK_ACCESSION>
C00009380

> <LINCS_ACCESSION>
LSM-2935

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050038

> <METACYC_ACCESSION>
DAIDZEIN

> <WIKIPEDIA_ACCESSION>
Daidzein

> <PUBMED_CITATION>
11193416; 16802696; 23267126; 23337939; 23342971; 23439294; 9544566

$$$$