Ebelactone A (CHEBI:220065)

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CHEBI:220065 - Ebelactone A

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ChEBI ID	CHEBI:220065
ChEBI Name	Ebelactone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O4
Net Charge	0
Average Mass	338.488
Monoisotopic Mass	338.24571
SMILES	CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
InChI	InChI=1S/C20H34O4/c1-8-12(3)17(21)15(6)18(22)13(4)9-11(2)10-14(5)19-16(7)20(23)24-19/h9,12-17,19,21H,8,10H2,1-7H3/b11-9+/t12-,13-,14+,15+,16+,17-,19+/m1/s1
InChIKey	WOISDAHQBUYEAF-QIQXJRRPSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (7161188)

ChEBI Ontology

Outgoing Relation(s)
	Ebelactone A (CHEBI:220065) is a terpene lactone (CHEBI:37668)

IUPAC Name
(3S,4S)-4-[(E,2S,6R,8S,9R,10R)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one

Manual Xrefs	Databases
4941431	ChemSpider