Aubergenone (CHEBI:173713)

CHEBI:173713 - Aubergenone

Formula	C15H24O2
Net Charge	0
Average Mass	236.355
Monoisotopic Mass	236.17763
SMILES	[H][C@@]1(C(C)(C)O)CC[C@@]2(C)C=CC(=O)[C@H](C)[C@]2([H])C1
InChI	InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,10-12,17H,5,7,9H2,1-4H3/t10-,11-,12+,15+/m1/s1
InChIKey	MSSWKGZMPUXALD-FJJYHAOUSA-N

ChEBI Ontology

Outgoing Relation(s)
	Aubergenone (CHEBI:173713) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name
(1R,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one

Manual Xrefs	Databases
58828593	ChemSpider

Registry Numbers	Sources
CAS:69427-35-6	ChemIDplus