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
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    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
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  -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
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  -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
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 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>


> <INCHI_KEY>
YJSUQPIYADONQI-WEHWNTOXSA-N

> <INCHI>
InChI=1S/C26H38O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)22-23(28)20(2)24(29)26(3,31)25(22)30/h5-6,8-9,11-12,28-29,31H,4,7,10,13-19H2,1-3H3/b6-5-,9-8-,12-11-/t26-/m0/s1

> <SMILES>
O=C(CCCCCCC/C=C\C/C=C\C/C=C\CC)C1C(=O)[C@](O)(C)C(O)=C(C)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118677

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260142

> <CITATION>
34147547

$$$$