LMPK12050284
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    9.4164   10.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164    9.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2547    8.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    9.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930   10.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2547   10.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9313    8.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7697    9.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7697   10.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9313   10.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6076    8.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6076    7.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5040    7.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4004    7.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4004    8.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5040    9.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9313    7.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5784    8.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5784   10.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2547    7.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5784    7.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    7.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060    7.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5040   10.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3847    7.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9931    8.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3847    9.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0270    8.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5440    7.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5440    9.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0608    8.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4147    7.3260    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
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 15  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 22 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050284

> <COMMON_NAME>
Lupinisoflavone N

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O9

> <MASS>
472.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWJDUNSQXRTRSD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O9/c1-24(2,31)18(27)7-12-15(26)9-17-20(22(12)29)23(30)14(10-33-17)11-5-6-16-13(21(11)28)8-19(34-16)25(3,4)32/h5-6,9-10,18-19,26-29,31-32H,7-8H2,1-4H3

> <SMILES>
C1(O)C(CC(O)C(O)(C)C)=C(O)C2C(=O)C(C3=C(O)C4CC(C(O)(C)C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14728999

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$