LMPK12050083
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5773    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5773    8.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4221    7.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2671    8.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2671    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4221    9.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    7.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9568    8.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9568    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    9.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8014    7.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8014    6.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7048    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6082    6.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6082    7.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7048    8.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    6.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5106    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8990    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050083

> <COMMON_NAME>
2'-Hydroxydaidzein

> <SYSTEMATIC_NAME>
7,2',4'-Trihydroxyisoflavone

> <FORMULA>
C15H10O5

> <MASS>
270.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCTNPCRBEWXCGP-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=CC=3O)C(=O)C=2C=C1

> <KEGG_ID>
C02495

> <HMDB_ID>
HMDB0029372

> <CHEBI_ID>
27479

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280520

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3885

> <CITATION>
-

$$$$