LMPK12050250
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.6018   10.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6018    9.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    9.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960   10.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490   10.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1432    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9902    9.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9902   10.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1432   10.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8372    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8372    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7429    7.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6485    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6485    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7429    9.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1432    7.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   10.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490    7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5533    7.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    7.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    6.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4599    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4599    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5542    9.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9490    7.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4379    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7429    6.3606    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
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 15  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050250

> <COMMON_NAME>
Gancaonin H

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavone

> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CCUZOQMNQONIMX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-13(2)5-6-16-18(26)11-20-21(22(16)28)23(29)17(12-30-20)15-9-14-7-8-25(3,4)31-24(14)19(27)10-15/h5,7-12,26-28H,6H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=CC4C=CC(C)(C)OC=4C(O)=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178566

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481949

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46347

> <CITATION>
-

$$$$