CHEBI:212888 - Conocenolide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Conocenolide A
ChEBI ID CHEBI:212888
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-4-10-6-15(2,3)7-12(10)13(8-16)11-5-14(17)18-9-11/h4,10-11,16H,1,5-9H2,2-3H3/b13-12-/t10-,11-/m1/s1
InChIKey LRJAOLOLCQHHOR-RPYXHXOLSA-N
SMILES O=C1OC[C@@H](C1)/C(=C/2\[C@H](C=C)CC(C2)(C)C)/CO
Metabolite of Species Details
Conocybe siliginea (NCBI:txid373326) See: PubMed
ChEBI Ontology
Outgoing Conocenolide A (CHEBI:212888) is a γ-lactone (CHEBI:37581)
IUPAC Name
(4S)-4-[(1E)-1-[(2S)-2-ethenyl-4,4-dimethylcyclopentylidene]-2-hydroxyethyl]oxolan-2-one
Manual Xref Database
78441121 ChemSpider
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