CHEBI:172142 - Acetylvalerenolic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acetylvalerenolic acid
ChEBI ID CHEBI:172142
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H24O4
Net Charge 0
Average Mass 292.375
Monoisotopic Mass 292.16746
InChI InChI=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+
InChIKey VBBXZFLAYWAXSK-YRNVUSSQSA-N
SMILES O(C1C2C(CCC(C2=C(C1)C)/C=C(\C)/C(O)=O)C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4943984 ChemSpider
HMDB0035687 HMDB
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Registry Number Type Source
81397-67-3 CAS Registry Number ChemIDplus