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CHEBI:174304 - Valerenolic acid

ChEBI IDCHEBI:174304
ChEBI NameValerenolic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C2C(/C=C(\C)C(=O)O)CCC(C)C2C(O)C1
InChIInChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+
InChIKeyXJNQXTISSHEQKD-UXBLZVDNSA-N
ChEBI Ontology
Outgoing Relation(s)
Valerenolic acid (CHEBI:174304) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-(1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Manual XrefsDatabases
HMDB0036563HMDB
4943985ChemSpider
Registry NumbersSources
CAS:81397-68-4ChemIDplus