(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene (CHEBI:208760)

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CHEBI:208760 - (+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene

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ChEBI ID	CHEBI:208760
ChEBI Name	(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	Cc1cc2c(cc1O)[C@@H](C)[C@H](O)C[C@H]2C(C)CO
InChI	InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1
InChIKey	MGBUZVXHLLSUJN-UFFDXJJYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(+)-(7S,9R,10R)-3,9,12-trihydroxycalamenene (CHEBI:208760) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1R,2R,4S)-4-(1-hydroxypropan-2-yl)-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diol

Manual Xrefs	Databases
17245271	ChemSpider