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CHEBI:172537 - Obtusilactone A

Default Structure
ChEBI IDCHEBI:172537
ChEBI NameObtusilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O3
Net Charge0
Average Mass308.462
Monoisotopic Mass308.23514
SMILESC=C1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@@H]1O
InChIInChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-/t18-/m1/s1
InChIKeyFCLYKYQBTSMTJB-RZPKCTKSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Obtusilactone A (CHEBI:172537) is a oxolanes (CHEBI:26912)
IUPAC Name 
(3Z,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
Manual XrefsDatabases
4946570ChemSpider
Registry NumbersSources
CAS:56522-15-7ChemIDplus