LMPK12050321
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.6034    9.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    9.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510   10.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    9.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461   10.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8414    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8414    7.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7476    6.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6539    7.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6539    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7476    9.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461    7.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7557    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7557   10.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4510    7.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5015    6.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7557    7.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602    9.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5602   10.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6539   10.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7476   10.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1644   11.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1432   11.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4077   10.5664    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
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 16  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050321

> <COMMON_NAME>
Lupinisolone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MSUIWRTZOBLKNX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-6-14-18(27)10-19-21(22(14)29)23(30)16(11-31-19)13-7-8-17(26)15-9-20(28)25(3,4)32-24(13)15/h5,7-8,10-11,20,26-29H,6,9H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C4OC(C)(C)C(O)CC4=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187637

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237667

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$