LMPK12050037
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5872   10.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    9.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4416    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2963    9.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2963   10.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4416   11.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0055    9.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0055   10.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508   11.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1508    8.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8600    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6525    8.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4450    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4450    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6525    9.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2995    8.0681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2995    6.3606    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050037

> <COMMON_NAME>
Formononetin

> <SYSTEMATIC_NAME>
7-Hydroxy-3-(4-methoxyphenyl)-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>
HKQYGTCOTHHOMP-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3=CC=C(OC)C=C3)C(=O)C=2C=C1

> <KEGG_ID>
C00858

> <HMDB_ID>
HMDB0005808

> <CHEBI_ID>
18088

> <ABBREVIATION>
-

> <CAYMAN_ID>
17558

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280378

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149633

> <CITATION>
-

$$$$