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

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ipsdienone

	Properties	Image
MNX_ID	MNXM145812
reference	chebi:84966
formula	C₁₀H₁₄O
global charge	0
mol weight	150.221
InChIKey	RPDIIOSMVGHNKJ-UHFFFAOYSA-N
InChI	InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
SMILES	C=CC(=C)CC(=O)C=C(C)C

MNX internals

InChI (mnx)	InChI=1/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
SMILES (mnx)	[CH2:1]=[CH:5][C:9](=[CH2:4])[CH2:7][C:10]([CH:6]=[C:8]([CH3:2])[CH3:3])=[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:84966 chebi:84966 RPDIIOSMVGHNKJ-UHFFFAOYSA-N	ipsdienone 2-methyl-6-methylene-2,7-octadien-4-one 2-methyl-6-methylideneocta-2,7-dien-4-one
seed.compound:cpd32303 seedM:cpd32303 RPDIIOSMVGHNKJ-UHFFFAOYSA-N	2,7-Octadien-4-one, 2-methyl-6-methylene- 2-methyl-6-methylene-2,7-octadien-4-one 2-methyl-6-methylideneocta-2,7-dien-4-one 539-70-8 ipsdienone myrcenon myrcenone
sabiork.compound:30575 sabiorkM:30575 RPDIIOSMVGHNKJ-UHFFFAOYSA-N	Ipsdienone 2-Methyl-6-methylene-2,7-octadien-4-one
kegg.compound:C20944 keggC:C20944 RPDIIOSMVGHNKJ-UHFFFAOYSA-N	Ipsdienone 2-Methyl-6-methyleneocta-2,7-dien-4-one
metacyc.compound:CPD-15919 metacycM:CPD-15919 RPDIIOSMVGHNKJ-UHFFFAOYSA-N	ipsdienone 2,7-Octadien-4-one, 2-methyl-6-methylene- 2-methyl-6-methylene-2,7-octadien-4-one 2-methyl-6-methylideneocta-2,7-dien-4-one 539-70-8 myrcenon myrcenone
keggC:M_C20944 seedM:M_cpd32303	secondary/obsolete/fantasy identifier