LMPK12050092
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5764    9.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5764    8.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    7.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2647    8.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2647    9.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    9.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1088    7.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9528    8.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9528    9.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1088    9.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7967    7.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7967    6.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6017    6.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6017    7.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    8.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5033    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1088    6.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    9.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5033    8.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3474    7.9570    0.0000 C   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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7 19  2  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050092

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,2',4'-Trihydroxy-3'-methoxyisoflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IELIPFOSZBGSTN-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14077823

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1231576

> <CITATION>
-

$$$$