LMPK12050102
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.5797    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5797    8.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4273    7.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    8.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4273    9.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222    7.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9696    8.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9696    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222    9.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168    7.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168    6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7229    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    6.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    7.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7229    8.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222    6.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9300    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
  2 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050102

> <COMMON_NAME>
Demethyltexasin

> <SYSTEMATIC_NAME>
6,7,4'-Trihydroxyisoflavone

> <FORMULA>
C15H10O5

> <MASS>
270.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GYLUFQJZYAJQDI-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1O

> <KEGG_ID>
C14314

> <HMDB_ID>
HMDB0031715

> <CHEBI_ID>
74957

> <ABBREVIATION>
-

> <CAYMAN_ID>
35405

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284649

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3086261

> <CITATION>
-

$$$$