EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223849 - 3-acetyl-9, 7 (11)-dien-7alpha-hydroxy-8-oxoeremophilane

ChEBI IDCHEBI:223849
ChEBI Name3-acetyl-9, 7 (11)-dien-7alpha-hydroxy-8-oxoeremophilane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O4
Net Charge0
Average Mass292.375
Monoisotopic Mass292.16746
SMILESCC(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)[C@H](O)[C@]2(C)[C@H]1C
InChIInChI=1S/C17H24O4/c1-9(2)15-13(19)8-12-6-7-14(21-11(4)18)10(3)17(12,5)16(15)20/h8,10,14,16,20H,6-7H2,1-5H3/t10-,14+,16-,17+/m0/s1
InChIKeyNNGHEUBMPRTIIB-KYTKNBDNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.cclet.2008.03.018)
ChEBI Ontology
Outgoing Relation(s)
3-acetyl-9, 7 (11)-dien-7alpha-hydroxy-8-oxoeremophilane (CHEBI:223849) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,8R,8aR)-8-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] acetate
Manual XrefsDatabases
27023917ChemSpider