CHEBI:182525 - 3-{1-[(E)-Allyloxyimino]-butyl}-4-hydroxy-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester

ChEBI IDCHEBI:182525
ChEBI Name3-{1-[(E)-Allyloxyimino]-butyl}-4-hydroxy-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester
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SubmitterMetaboLights
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FormulaC17H25NO5
Net Charge0
Average Mass323.389
Monoisotopic Mass323.17327
SMILESC=CCO/N=C(\CCC)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
InChIInChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,13-14H,2,6,8-10H2,1,3-5H3/b18-11+
InChIKeyMSNWHIVXIUIVPC-WOJGMQOQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-{1-[(E)-Allyloxyimino]-butyl}-4-hydroxy-6,6-dimethyl-2-oxo-cyclohex-3-enecarboxylic acid methyl ester (CHEBI:182525) is a β-diketone (CHEBI:67265)
IUPAC Name 
methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate
Manual XrefsDatabases
4901227ChemSpider
C18772KEGG COMPOUND