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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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4-Methylcyclohexanone

Properties

Image

Occurences in reactions

MNX_ID

MNXM117993

Image of MNXM117993

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₇H₁₂O

charge

0

mass

112.08882

reference

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

SMILES

CC1CCC(=O)CC1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:25813 sabiorkM:25813	4-Methylcyclohexanone
hmdb:HMDB0031540	4-Methylcyclohexanone 4-Methyl-1-cyclohexanone 4-Methyl-cyclohexanone 4-methylcyclohexan-1-one 4-methylcyclohexanone CYCLOHEXANONE,4-methyl FEMA 3948 Methycyclohexanone Methyl-4 cyclohexanone-1 Methyl-cyclohexanone Methylcyclohexanone Metylocykloheksanon Tetrahydro-p-cresol p-Methyl cyclohexanone
hmdb:HMDB31540	secondary/obsolete/fantasy identifier