LMPK12050275
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
    8.7406    9.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7406    8.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5903    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4401    8.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4401    9.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5903    9.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    8.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    9.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898    9.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9893    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9893    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8976    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8976    8.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2898    6.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912    7.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912    9.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5903    6.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8039    6.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    7.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8039    7.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4017    7.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8924    6.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8924    7.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3830    7.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0418    9.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0418    8.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5512    9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8976    9.1398    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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 18  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050275

> <COMMON_NAME>
Lupinisoflavone L

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O7

> <MASS>
436.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEWUZAKGUIPPDR-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=C(O)C4CC(C(O)(C)C)OC=4C=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14728997

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$