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

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4-methylcyclohexanone

	Properties	Image
MNX_ID	MNXM117993
reference	chebi:195392
formula	C₇H₁₂O
global charge	0
mol weight	112.172
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

MNX internals

InChI (mnx)	InChI=1/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
SMILES (mnx)	[CH3:1][CH:6]1[CH2:2][CH2:4][C:7](=[O:8])[CH2:5][CH2:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:195392 chebi:195392 VGVHNLRUAMRIEW-UHFFFAOYSA-N	4-methylcyclohexanone 4-methyl-1-cyclohexanone 4-methyl-1-oxocyclohexane 4-methyl-cyclohexan-1-one 4-methylcyclohexane-1-one FEMA 3948 p-methylcyclohexanone para-methylcyclohexanone tetrahydro-p-cresol
sabiork.compound:25813 sabiorkM:25813 VGVHNLRUAMRIEW-UHFFFAOYSA-N	4-Methylcyclohexanone
hmdb:HMDB0031540 VGVHNLRUAMRIEW-UHFFFAOYSA-N	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 P-Methyl cyclohexanone tetrahydro-P-Cresol
metacyc.compound:CPD-25460 metacycM:CPD-25460 VGVHNLRUAMRIEW-UHFFFAOYSA-N	4-methylcyclohexanone 4-methylcyclohexan-1-one methyl-4 cyclohexanone-1
hmdb:HMDB31540	secondary/obsolete/fantasy identifier