LMPK12050276
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
   10.1987    9.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1987    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0469    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951    9.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0469   10.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7432    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5915    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5915    9.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7432   10.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4396    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4396    7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3465    6.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3465    8.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673   10.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6916    9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673    8.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0469    7.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7432    7.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1594    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7121    9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2224    8.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2224   10.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1594    6.6857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0653    8.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3465    9.7590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0653    7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5550    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0447    7.2088    0.0000 C   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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 14 26  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  2  0  0  0  0
 16 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 28  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050276

> <COMMON_NAME>
Lupinisoflavone K

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O7

> <MASS>
436.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSGWBHWZUDKMNN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O7/c1-24(2)8-7-13-16(32-24)6-5-12(21(13)26)15-11-30-18-10-17-14(22(27)20(18)23(15)28)9-19(31-17)25(3,4)29/h5-8,10-11,19,26-27,29H,9H2,1-4H3

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=C(O)C4C=CC(C)(C)OC=4C=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14728996

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$