LMPK12050210
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    9.2989    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2989    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0102    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0102    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545    9.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7213    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7213    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    9.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    6.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4067    6.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4067    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917    8.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    6.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436    7.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1545    6.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5884    9.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5884    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943    9.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6004    9.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2623    6.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2623    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1178    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9734    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9734    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8291    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.6451    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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050210

> <COMMON_NAME>
Lupinisolone A

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDLIAMHAUSAXIS-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C(O)CC1=C(O)C1C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237665

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$