LMPK12050189
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.8984    9.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984    8.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    8.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042    9.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514    9.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3100    8.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3100    9.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    9.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1630    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1630    6.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0749    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9866    6.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9866    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0749    8.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    6.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7514    6.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    6.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0456    9.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0456    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0456    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531    8.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1925    6.4626    0.0000 C   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
  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
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
> <LM_ID>
LMPK12050189

> <COMMON_NAME>
6-(1,1-Dimethylallyl)genistein

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6-(1,1-dimethyl-2-propenyl)isoflavone

> <FORMULA>
C20H18O5

> <MASS>
338.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QHOGIWOAXCXNES-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O5/c1-4-20(2,3)17-14(22)9-15-16(19(17)24)18(23)13(10-25-15)11-5-7-12(21)8-6-11/h4-10,21-22,24H,1H2,2-3H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C(O)=C1C(C)(C)C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257285

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 520843

> <CITATION>
-

$$$$