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CHEBI:215016 - Cancrolide A

ChEBI IDCHEBI:215016
ChEBI NameCancrolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESC=CC=CC(C=CC=CC)[C@@H]1C[C@@H](O)C(=O)O1
InChIInChI=1S/C14H18O3/c1-3-5-7-9-11(8-6-4-2)13-10-12(15)14(16)17-13/h3-9,11-13,15H,2,10H2,1H3/t11?,12-,13+/m1/s1
InChIKeyLLMRQGJRAFQAGU-HDYSRYHKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium cancroideum (ncbitaxon:874300) - PubMed (26549741)
ChEBI Ontology
Outgoing Relation(s)
Cancrolide A (CHEBI:215016) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3R,5S)-5-deca-1,3,6,8-tetraen-5-yl-3-hydroxyoxolan-2-one