LMPK13070023
  LIPID_MAPS_STRUCTURE_DATABASE

 31 31  0     0  0            999 V2000
  -11.0855   -2.6130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1990   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3122   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4254   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5386   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6518   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7650   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8782   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9914   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1045   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3295   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2163   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031   -4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900   -3.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0495   -3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9128   -4.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7744   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6361   -4.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6361   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7744   -5.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9129   -5.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0511   -5.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4977   -3.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7744   -2.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4977   -5.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0979   -6.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1028   -6.4045    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  6     0  0
 19  1  2  0  0  0  0
 19  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK13070023

> <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-OFIPGTELSA-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-/m1/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>
171118676

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260142

> <CITATION>
34147547

$$$$