LMPK13070035
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0     0  0            999 V2000
  -13.7456   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6253   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -18.0843   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2195   -0.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -18.9491   -0.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3713   -0.2541    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
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  2 16  2  0     0  0
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 17 18  1  0     0  0
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 22 23  2  0     0  0
 23 24  1  0     0  0
 24 19  2  0     0  0
 17 25  2  0     0  0
 21 26  1  0     0  0
 23 27  1  0     0  0
 15 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMPK13070035

> <COMMON_NAME>
Cuminone M

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H34O4

> <MASS>
410.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IKWNVUNKYSWMQC-NSAMXNATSA-N

> <INCHI>
InChI=1S/C26H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(29)26-23(28)18-21(27)19-25(26)30-22/h3-4,6-7,9-10,18-20,27-28H,2,5,8,11-17H2,1H3/b4-3+,7-6-,10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119983

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
260142

> <CITATION>
34147547

$$$$