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

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

ChEBI ID	CHEBI:182525

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C17H25NO5

Net Charge

Average Mass

323.389

Monoisotopic Mass

323.17327

InChI

InChI=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+

InChIKey

MSNWHIVXIUIVPC-WOJGMQOQSA-N

SMILES

O=C1C(C(CC(=O)C1\C(=N\OCC=C)\CCC)(C)C)C(OC)=O

ChEBI Ontology
Outgoing	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