(1S,3S,4R,5S,7S)-eremophil-9-ene-1,3,11-triol (CHEBI:215965)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215965 - (1S,3S,4R,5S,7S)-eremophil-9-ene-1,3,11-triol

Take structure to advanced search

ChEBI ID	CHEBI:215965
ChEBI Name	(1S,3S,4R,5S,7S)-eremophil-9-ene-1,3,11-triol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H26O3
Net Charge	0
Average Mass	254.370
Monoisotopic Mass	254.18819
SMILES	C[C@H]1[C@@H](O)C[C@H](O)C2=CC[C@H](C(C)(C)O)C[C@]21C
InChI	InChI=1S/C15H26O3/c1-9-12(16)7-13(17)11-6-5-10(14(2,3)18)8-15(9,11)4/h6,9-10,12-13,16-18H,5,7-8H2,1-4H3/t9-,10-,12-,13-,15-/m0/s1
InChIKey	OTYLTSXSAIKBHG-ZCZIKAACSA-N

Species of Metabolite	Component	Source	Comments
Botrytis cinerea (ncbitaxon:40559)	-	PubMed (29929021)

ChEBI Ontology

Outgoing Relation(s)
	(1S,3S,4R,5S,7S)-eremophil-9-ene-1,3,11-triol (CHEBI:215965) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,3S,4R,4aS,6S)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol

Manual Xrefs	Databases
78443463	ChemSpider