Bisabolan-1,10,11-triol (CHEBI:213975)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213975 - Bisabolan-1,10,11-triol

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:213975
ChEBI Name	Bisabolan-1,10,11-triol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H30O3
Net Charge	0
Average Mass	258.402
Monoisotopic Mass	258.21949
SMILES	C[C@H]1CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@H](O)C1
InChI	InChI=1S/C15H30O3/c1-10-5-7-12(13(16)9-10)11(2)6-8-14(17)15(3,4)18/h10-14,16-18H,5-9H2,1-4H3/t10-,11+,12+,13-,14-/m0/s1
InChIKey	UYYKVTZPZVIVIA-ZSLBOAEBSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (30072624)

ChEBI Ontology

Outgoing Relation(s)
	Bisabolan-1,10,11-triol (CHEBI:213975) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(3S,6R)-6-[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]-2-methylheptane-2,3-diol

Manual Xrefs	Databases
71048395	ChemSpider