5377381
  CDK     0602212311

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.5623   -1.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1199    1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    1.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8479   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104    0.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1104   -1.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629    0.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3629   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7058    1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4202    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4 14  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  2  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 11  2  0  0  0  0 
  7 12  2  0  0  0  0 
  9 15  2  0  0  0  0 
  9 16  1  0  0  0  0 
 10 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  2  0  0  0  0 
 17 19  2  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:174348

> <NAME>
5,7-Dihydroxyisoflavone

> <STAR>
2

> <IUPAC_NAME>
5,7-dihydroxy-3-phenylchromen-4-one

> <FORMULA>
C15H10O4

> <MASS>
254.241

> <MONOISOTOPIC_MASS>
254.05791

> <CHARGE>
0

> <SMILES>
O1C=2C(C(=O)C(C3=CC=CC=C3)=C1)=C(O)C=C(O)C2

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

> <INCHIKEY>
PJJGZPJJTHBVMX-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C02168

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12050160

$$$$