LMPK12050409
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5750    9.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5750    8.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    7.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    8.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    9.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    9.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025    7.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9450    8.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9450    9.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025    9.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875    7.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7875    6.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6882    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5889    6.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5889    7.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6882    8.4408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1025    6.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4176    6.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4315    6.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4315    8.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5134    7.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050409

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FOYZEKURDCJBSQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)17)8-6-23-12-5-10(18)15(20)16(21)13(12)14(8)19/h2-6,17-18,20-21H,1H3

> <SMILES>
C1(O)C(O)=C(O)C2C(=O)C(C3=CC(OC)=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15291050

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1037036

> <CITATION>
-

$$$$