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

Feedback

beta-phellandrene

	Properties	Image
MNX_ID	MNXM1958
reference	chebi:48741
formula	C₁₀H₁₆
global charge	0
mol weight	136.238
InChIKey	LFJQCDVYDGGFCH-UHFFFAOYSA-N
InChI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
SMILES	C=C1C=CC(C(C)C)CC1

MNX internals

InChI (mnx)	InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10?
SMILES (mnx)	[CH3:1][CH:8]([CH3:2])[CH:10]1[CH:6]=[CH:4][C:9](=[CH2:3])[CH2:5][CH2:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48741 chebi:48741 LFJQCDVYDGGFCH-UHFFFAOYSA-N	beta-phellandrene 2-p-menthadiene 3-isopropyl-6-methylene-1-cyclohexene 3-methylene-6-(1-methylethyl)cyclohexene 3-methylidene-6-(propan-2-yl)cyclohex-1-ene 4-isopropyl-1-methylene-2-cyclohexene beta-Phellandren p-mentha-1(7),2-diene
seed.compound:cpd22464 seedM:cpd22464 LFJQCDVYDGGFCH-UHFFFAOYSA-N	Beta-phellandrene
seed.compound:cpd21061 seedM:cpd21061 kegg.compound:C19818 keggC:C19818 LFJQCDVYDGGFCH-UHFFFAOYSA-N	beta-Phellandrene
hmdb:HMDB0036081 LFJQCDVYDGGFCH-UHFFFAOYSA-N	beta-Phellandrene 2-p-Menthadiene 3-Isopropyl-6-methylene-1-cyclohexene 3-Isopropyl-6-methylenecyclohexene 3-Methylene-6-(1-methylethyl)-cyclohexene 3-Methylene-6-(1-methylethyl)cyclohexene 3-Methylidene-6-(propan-2-yl)cyclohex-1-ene 3-methylidene-6-(propan-2-yl)cyclohex-1-ene 4-Isopropyl-1-methylene-2-cyclohexene b-Phellandren b-Phellandrene beta -Phellandrene beta phellandrene beta-Phellandren beta-Phellandrene, (+-)-isomer beta-Phellandrene, (-)-isomer beta-phellandren beta-phellandrene
metacyc.compound:Beta-phellandrene metacycM:Beta-phellandrene LFJQCDVYDGGFCH-UHFFFAOYSA-N	beta-phellandrene
hmdb:HMDB36081 chebi:546332 keggC:M_C19818 seedM:M_cpd21061 seedM:M_cpd22464	secondary/obsolete/fantasy identifier