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CHEBI:172142 - Acetylvalerenolic acid

ChEBI IDCHEBI:172142
ChEBI NameAcetylvalerenolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O4
Net Charge0
Average Mass292.375
Monoisotopic Mass292.16746
SMILESCC(=O)OC1CC(C)=C2C(/C=C(\C)C(=O)O)CCC(C)C21
InChIInChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+
InChIKeyVBBXZFLAYWAXSK-YRNVUSSQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Acetylvalerenolic acid (CHEBI:172142) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Manual XrefsDatabases
4943984ChemSpider
HMDB0035687HMDB
Registry NumbersSources
CAS:81397-67-3ChemIDplus