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CHEBI:213018 - Kimbelactone A

ChEBI IDCHEBI:213018
ChEBI NameKimbelactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25ClO3
Net Charge0
Average Mass336.859
Monoisotopic Mass336.14922
SMILESCOC1=CC(=O)OC(CC/C=C/C=C\C(C)/C=C/C(C)=C/Cl)C1
InChIInChI=1S/C19H25ClO3/c1-15(10-11-16(2)14-20)8-6-4-5-7-9-17-12-18(22-3)13-19(21)23-17/h4-6,8,10-11,13-15,17H,7,9,12H2,1-3H3/b5-4+,8-6-,11-10+,16-14+
InChIKeyFFQPDMLQLMDNCB-OOYZWKPBSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (22489775)
ChEBI Ontology
Outgoing Relation(s)
Kimbelactone A (CHEBI:213018) is a pyranone (CHEBI:37963)
IUPAC Name 
2-[(3E,5Z,8E,10E)-11-chloro-7,10-dimethylundeca-3,5,8,10-tetraenyl]-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
27444997ChemSpider