(+)-(7S,10S)-3,12-dihydroxycalamenene (CHEBI:217050)

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CHEBI:217050 - (+)-(7S,10S)-3,12-dihydroxycalamenene

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ChEBI ID	CHEBI:217050
ChEBI Name	(+)-(7S,10S)-3,12-dihydroxycalamenene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O2
Net Charge	0
Average Mass	234.339
Monoisotopic Mass	234.16198
SMILES	Cc1cc2c(cc1O)[C@H](C)CC[C@@H]2C(C)CO
InChI	InChI=1S/C15H22O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h6-7,9,11-12,16-17H,4-5,8H2,1-3H3/t9-,11?,12-/m1/s1
InChIKey	JZRBLGYAAXGCNI-WSXXKJPRSA-N

Species of Metabolite	Component	Source	Comments
Phomopsis (ncbitaxon:34399)	-	PubMed (16857221)

ChEBI Ontology

Outgoing Relation(s)
	(+)-(7S,10S)-3,12-dihydroxycalamenene (CHEBI:217050) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(5R,8R)-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Manual Xrefs	Databases
78439857	ChemSpider