Investienol (CHEBI:202645)

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CHEBI:202645 - Investienol

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ChEBI ID	CHEBI:202645
ChEBI Name	Investienol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H28O2
Net Charge	0
Average Mass	240.387
Monoisotopic Mass	240.20893
SMILES	CC(CO)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@H](C)[C@H]2C1
InChI	InChI=1S/C15H28O2/c1-10-4-5-14-13(10)8-12(11(2)9-16)6-7-15(14,3)17/h10-14,16-17H,4-9H2,1-3H3/t10-,11?,12+,13-,14+,15-/m1/s1
InChIKey	ZPYVXPAWWQZYPQ-BOTYODQHSA-N

Species of Metabolite	Component	Source	Comments
Hypoxylon (ncbitaxon:42308)	-	PubMed (24934680)

ChEBI Ontology

Outgoing Relation(s)
	Investienol (CHEBI:202645) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,3aS,4R,7S,8aR)-7-(1-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol

Manual Xrefs	Databases
78440899	ChemSpider