LMPK12060018
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2407    8.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2407    7.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271    7.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    7.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    8.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271    9.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    7.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    7.9685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9862    8.7611    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2998    9.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6723    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6723    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4060    6.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1399    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1399    7.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4060    7.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998    6.7797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4394    8.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    9.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271    9.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134   10.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6134   11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2998   11.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271   11.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4060    5.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8262    6.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8947    6.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
  1  2  1  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  1  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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  1  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060018

> <COMMON_NAME>
Rotenonic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O6

> <MASS>
396.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GBVCHRDRVDOMQV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H24O6/c1-12(2)5-6-13-16(24)8-7-14-22(25)21-15-9-18(26-3)19(27-4)10-17(15)28-11-20(21)29-23(13)14/h5,7-10,20-21,24H,6,11H2,1-4H3

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4303568

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$