LMPK12050039
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.1240    9.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240    8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    7.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7828    9.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    9.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6121    7.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416    9.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6121    9.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2709    7.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2709    6.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1577    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0445    6.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0445    7.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1577    8.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6121    6.6389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739    6.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050039

> <COMMON_NAME>
Isoformononetin

> <SYSTEMATIC_NAME>
3-(4-Hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O4

> <MASS>
268.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LNIQZRIHAMVRJA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3

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

> <KEGG_ID>
C12125

> <HMDB_ID>
HMDB0033994

> <CHEBI_ID>
29608

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3764

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$