LMPK12050240
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    8.6129   10.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3175    9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3175   10.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652   10.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1698    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0221    9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0221   10.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1698   10.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8741    8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8741    7.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7854    7.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6967    7.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6967    8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7854    9.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1698    7.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652    7.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6071    7.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7609    8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7854    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7609   10.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7609    7.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    7.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652   11.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3172   12.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3172   13.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1673   13.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670   13.6065    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
  2 20  1  0  0  0  0
 13 21  1  0  0  0  0
  1 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050240

> <COMMON_NAME>
6,8-Diprenylorobol

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxy-6,8-diprenylisoflavone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

> <INCHI_KEY>
OAUIRSVJXOFAOO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-8-16-22(28)17(9-6-14(3)4)25-21(23(16)29)24(30)18(12-31-25)15-7-10-19(26)20(27)11-15/h5-7,10-12,26-29H,8-9H2,1-4H3

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC=C(C3C=CC(O)=C(O)C=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>
21148065

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 690557

> <CITATION>
-

$$$$