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CHEBI:218476 - (E)-3-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)pent-2-enoic acid

ChEBI IDCHEBI:218476
ChEBI Name(E)-3-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)pent-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C(CC/C(C)=C/C(=O)O)C(C)(C)CCC1=O
InChIInChI=1S/C15H22O3/c1-10(9-14(17)18)5-6-12-11(2)13(16)7-8-15(12,3)4/h9H,5-8H2,1-4H3,(H,17,18)/b10-9+
InChIKeyFCZXOGQZJYLSFF-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis alba DSM 44262 (ncbitaxon:1125972) - PubMed (28276761)
ChEBI Ontology
Outgoing Relation(s)
(E)-3-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)pent-2-enoic acid (CHEBI:218476) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-methyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enoic acid
Manual XrefsDatabases
78435813ChemSpider