LMPK12050183
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.4190   10.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4190    9.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2581    8.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972    9.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972   10.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2581   10.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9363    8.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755    9.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755   10.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9363   10.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    7.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    7.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4087    7.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4087    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    9.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9363    7.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802   10.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2581    7.8080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7432    7.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7432    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3939    7.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0028    8.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3939    9.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0377    8.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5552    7.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5552    9.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0726    8.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4173    7.3270    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
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 15  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 22 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050183

> <COMMON_NAME>
Lupinisoflavone M

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O8

> <MASS>
456.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IXEGNYHOJYAEHW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O8/c1-24(2,30)19(27)9-14-16(26)10-18-21(22(14)28)23(29)15(11-32-18)12-5-6-17-13(7-12)8-20(33-17)25(3,4)31/h5-7,10-11,19-20,26-28,30-31H,8-9H2,1-4H3

> <SMILES>
C1(O)C(CC(O)C(O)(C)C)=C(O)C2C(=O)C(C3=CC4CC(C(O)(C)C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185611

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14728998

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$