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

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piperitenone

	Properties	Image
MNX_ID	MNXM4785
reference	chebi:17304
formula	C₁₀H₁₄O
global charge	0
mol weight	150.221
InChIKey	HKZQJZIFODOLFR-UHFFFAOYSA-N
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
SMILES	CC1=CC(=O)C(=C(C)C)CC1

MNX internals

InChI (mnx)	InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
SMILES (mnx)	[CH3:1][C:7]([CH3:2])=[C:9]1[CH2:5][CH2:4][C:8]([CH3:3])=[CH:6][C:10]1=[O:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17304 chebi:17304 HKZQJZIFODOLFR-UHFFFAOYSA-N	piperitenone Piperitenone p-mentha-1,4(8)-dien-3-one
kegg.compound:C01951 keggC:C01951 HKZQJZIFODOLFR-UHFFFAOYSA-N	Piperitenone
hmdb:HMDB0036999 HKZQJZIFODOLFR-UHFFFAOYSA-N	Piperitenone 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9ci 3-Methyl-6-propan-2-ylidenecyclohex-2-en-1-one 3-Terpinolenone 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one 6-Isopropylidene-3-methyl-2-cyclohexenone FEMA 3560 Pulespenone piperitenone
seed.compound:cpd01341 seedM:cpd01341 HKZQJZIFODOLFR-UHFFFAOYSA-N	Piperitenone piperitenone
metacyc.compound:CPD-278 metacycM:CPD-278 HKZQJZIFODOLFR-UHFFFAOYSA-N	piperitenone
lipidmaps:LMPR0102090056 lipidmapsM:LMPR0102090056 HKZQJZIFODOLFR-UHFFFAOYSA-N	piperitenone Piperitenone p-mentha-1,4(8)-dien-3-one piperitenone
hmdb:HMDB36999 chebi:14842 chebi:26152 chebi:8239 keggC:M_C01951 seedM:M_cpd01341	secondary/obsolete/fantasy identifier