LMPK12050285
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.1166    9.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1166    8.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9629    7.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8093    8.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8093    9.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9629    9.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6556    7.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5019    8.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5019    9.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6556    9.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3480    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3480    6.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2530    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1578    6.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1578    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2530    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    9.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6127    8.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    8.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9629    6.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6556    6.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0618    8.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6359    8.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1474    8.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1474    9.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0618    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9658    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8698    8.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8698    9.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7738    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2530    9.4942    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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 15 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 14 26  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050285

> <COMMON_NAME>
Lupinisoflavone H

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BBJBSCHGUMCQQR-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C(O)(C)C)CC1=C(O)C1C(=O)C(C3=C(O)C(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>
14237662

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$