LMPK12050328
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2411    7.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411    6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9277    6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6144    6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6144    7.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9277    8.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009    6.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    7.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3010    8.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743    6.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1427    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1427    6.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    6.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009    5.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9277    5.7263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    5.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8294    5.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    5.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050328

> <COMMON_NAME>
2'-Hydroxybiochanin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OZEVXMDBOINMTC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-7,17-19H,1H3

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

> <KEGG_ID>
C12135

> <HMDB_ID>
HMDB0134009

> <CHEBI_ID>
31064

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282075

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$