LMPK12050182
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5703   12.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5703   11.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084   10.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2463   11.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2463   12.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084   12.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844   10.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9223   11.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9223   12.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844   12.7630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7600   10.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7600    9.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560    9.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5520    9.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5520   10.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560   11.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    9.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8711    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9000    8.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3207    9.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4168    7.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4482    7.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9011    6.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9365    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    9.8605    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
  7 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050182

> <COMMON_NAME>
Lupinisoflavone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASFWAKDAUOGISP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-20(2,24)17-6-11-5-10(3-4-15(11)26-17)13-9-25-16-8-12(21)7-14(22)18(16)19(13)23/h3-5,7-9,17,21-22,24H,6H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257284

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$