Cyclonerodiol A (CHEBI:225631)

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CHEBI:225631 - Cyclonerodiol A

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ChEBI ID	CHEBI:225631
ChEBI Name	Cyclonerodiol A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32O4
Net Charge	0
Average Mass	324.461
Monoisotopic Mass	324.23006
SMILES	CC(=O)O[C@](C)(CCC=C(C)C)[C@@H]1CC[C@@](C)(OC(C)=O)[C@H]1C
InChI	InChI=1S/C19H32O4/c1-13(2)9-8-11-19(7,23-16(5)21)17-10-12-18(6,14(17)3)22-15(4)20/h9,14,17H,8,10-12H2,1-7H3/t14-,17+,18+,19+/m0/s1
InChIKey	CHHMOTCFWRGMKB-JEDBISTDSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (31886665)

ChEBI Ontology

Outgoing Relation(s)
	Cyclonerodiol A (CHEBI:225631) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[(1R,2S,3R)-3-[(2R)-2-acetyloxy-6-methylhept-5-en-2-yl]-1,2-dimethylcyclopentyl] acetate

Manual Xrefs	Databases
81367097	ChemSpider