LMPK13070024
  LIPID_MAPS_STRUCTURE_DATABASE

 31 31  0     0  0            999 V2000
  -11.0917   -2.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2047   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3174   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4301   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5428   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6555   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7682   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8809   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1062   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4443   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048   -4.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9922   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0557   -3.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9195   -4.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7815   -3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6437   -4.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6437   -5.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7815   -5.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9196   -5.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0573   -5.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5058   -3.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7815   -2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5058   -5.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1052   -6.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1096   -6.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  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
 20 19  1  0  0  0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 20  1  0     0  0
 25 26  2  0     0  0
 22 27  1  0     0  0
 21 28  1  0     0  0
 23 29  1  0     0  0
 24 30  1  0     0  0
 24 31  1  1     0  0
 19  1  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK13070024

> <COMMON_NAME>
(+)-Cuminone C

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H38O5

> <MASS>
430.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118677

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK13070024

$$$$