Ketcher 10112115302D 1   1.00000     0.00000     0

 20 22  0     0  0            999 V2000
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   -1.1691    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3032    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0352   -1.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7672    1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270   -1.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  2  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  9 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 16 18  2  0     0  0
 17 19  2  0     0  0
 19 20  1  0     0  0
  7 11  1  0     0  0
  8  9  2  0     0  0
 18 19  1  0     0  0
M  END
> <ID>
CHEBI:28088

> <NAME>
genistein

> <DEFINITION>
A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42763; CHEBI:5302; CHEBI:24204

> <SYNONYM>
GENISTEIN; Genistein; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7,4'-Trihydroxyisoflavone; 4',5,7-trihydroxyisoflavone; 4',5,7-trihydroxyisoflavone

> <IUPAC_NAME>
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

> <BRAND_NAME>
Sophoricol; Prunetol

> <FORMULA>
C15H10O5

> <MASS>
270.240

> <MONOISOTOPIC_MASS>
270.05282

> <CHARGE>
0

> <SMILES>
OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O

> <INCHI>
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

> <INCHIKEY>
TZBJGXHYKVUXJN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
263823

> <CAS_REGISTRY_NUMBER>
446-72-0

> <REAXYS_REGISTRY_NUMBER>
263823

> <CHEMIDPLUS>
446-72-0

> <DRUGBANK_ACCESSION>
DB01645

> <KEGG_COMPOUND_ACCESSION>
C06563

> <KEGG_DRUG_ACCESSION>
D11680

> <KNAPSACK_ACCESSION>
C00002526

> <LINCS_ACCESSION>
LSM-5549

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050218

> <METACYC_ACCESSION>
CPD-3141

> <PDBECHEM_ACCESSION>
GEN

> <WIKIPEDIA_ACCESSION>
Genistein

> <PUBMED_CITATION>
10469641; 10741415; 10912792; 11564287; 12629420; 14654166; 15196699; 15288519; 15576033; 15772566; 15833883; 15853412; 16061678; 16166295; 17004897; 17979711; 18344977; 18413741; 18490856; 18815740; 19107852; 19402570; 20211733; 22303062; 24023812; 24297371; 24379139; 25593647; 26322379; 28166217; 28259640; 34314575

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