LMPK12050241
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.0507    8.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0507    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    7.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4453    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4453    8.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    9.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    7.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8399    7.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8399    8.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    9.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369    6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2825    6.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0280    6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0280    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2825    7.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    6.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3537    9.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3536    6.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6761    6.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6761    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7728    6.1186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    6.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7728    7.8395    0.0000 O   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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050241

> <COMMON_NAME>


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

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
URGGLJWRKAXLOT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17-18(19(12)24)20(25)13(9-26-17)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257302

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$