LMPK12050050
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
   10.2454    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824    7.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9193    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0824    9.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7563    7.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5933    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5933    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7563    9.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4303    7.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4303    6.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2200    6.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2200    7.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251    8.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4084    9.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7563    6.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5715    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7345    9.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975    8.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0570    8.3937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0570    6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3601    7.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 17 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
 15 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050050

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BGBPWPNAHAYZRE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-13(2)8-9-25-15-5-6-16-20(11-15)26-12-17(21(16)23)14-4-7-19(24-3)18(22)10-14/h4-8,10-12,22H,9H2,1-3H3

> <SMILES>
C1(OC/C=C(/C)\C)C=CC2C(=O)C(C3=CC(O)=C(OC)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13467712

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 132433

> <CITATION>
-

$$$$