LMPK12050149
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    7.5780    9.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    8.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2697    8.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2697    9.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239    9.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155    7.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9613    8.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9613    9.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155    9.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8068    7.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8068    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7111    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6154    6.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6154    7.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7111    8.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155    6.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5189    6.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   10.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7111    9.4923    0.0000 O   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050149

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,8,2',4'-Tetrahydroxyisoflavone

> <FORMULA>
C15H10O6

> <MASS>
286.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMEMQPVSEZVECO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O6/c16-7-1-2-8(12(18)5-7)10-6-21-15-9(13(10)19)3-4-11(17)14(15)20/h1-6,16-18,20H

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0134022

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5378260

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3884

> <CITATION>
-

$$$$