LMPK13070032
  LIPID_MAPS_STRUCTURE_DATABASE

 31 32  0     0  0            999 V2000
  -13.7655   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6465   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8780   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9901   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1022   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2143   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3264   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4385   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5506   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6627   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7748   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8869   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1111   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6465   -1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5125   -2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3786   -1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3785   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5125   -0.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2446   -2.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1106   -1.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1106   -0.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2446   -0.2630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5125   -3.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2446   -3.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9766   -0.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2446    0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23  2  1  0     0  0
 21 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 22  2  0     0  0
 20 28  2  0     0  0
 24 29  1  0     0  0
 26 30  1  0     0  0
 27 31  1  0     0  0
M  END
> <LM_ID>
LMPK13070032

> <COMMON_NAME>
Cuminone J

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H36O4

> <MASS>
424.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenylmethanes, acylphloroglucinols and benzophenones [PK1307]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GLPOORBZPXLPFG-YSTUJMKBSA-N

> <INCHI>
InChI=1S/C27H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-24(29)26-25(30)20-23(28)21(2)27(26)31-22/h4-5,7-8,10-11,19-20,28,30H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-

> <SMILES>
C(CCCCCC/C=C\C/C=C\C/C=C\CC)C1OC2=C(C)C(O)=CC(O)=C2C(=O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
166625277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260142

> <CITATION>
34147547

$$$$