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CHEBI:177505 - Vetiveryl acetate

ChEBI IDCHEBI:177505
ChEBI NameVetiveryl acetate
Stars
Last Modified27 September 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O2
Net Charge0
Average Mass262.393
Monoisotopic Mass262.19328
SMILESCC(=O)OC1C=C(C)C2CC(=C(C)C)CC2C(C)C1
InChIInChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3
InChIKeyUAVFEMBKDRODDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Vetiveryl acetate (CHEBI:177505) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
Manual XrefsDatabases
8044ChemSpider
HMDB0037832HMDB
Registry NumbersSources
CAS:117-98-6ChemIDplus