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

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(4S)-perillyl aldehyde

	Properties	Image
MNX_ID	MNXM2149
reference	metacycM:CPD-20030
formula	C₁₀H₁₄O
global charge	0
mol weight	150.221
InChIKey	RUMOYJJNUMEFDD-SNVBAGLBSA-N
InChI	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
SMILES	C=C(C)[C@@H]1CC=C(C=O)CC1

MNX internals

InChI (mnx)	InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
SMILES (mnx)	[CH2:1]=[C:8]([CH3:2])[C@@H:10]1[CH2:5][CH:3]=[C:9]([CH:7]=[O:11])[CH2:4][CH2:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-20030 metacycM:CPD-20030 RUMOYJJNUMEFDD-SNVBAGLBSA-N	(4S)-perillyl aldehyde (-)-perillyl aldehyde (4S)-4-Isopropenyl-1-cyclohexen-1-carbaldehyde (S)-(-)-perillaldehyde (S)-p-mentha-1,8-dien-7-al
seed.compound:cpd34115 seedM:cpd34115 RUMOYJJNUMEFDD-SNVBAGLBSA-N	(-)-perillyl aldehyde (4S)-4-Isopropenyl-1-cyclohexen-1-carbaldehyde (4S)-perillyl aldehyde (S)-(-)-perillaldehyde (S)-p-mentha-1,8-dien-7-al
seed.compound:cpd01686 seedM:cpd01686 RUMOYJJNUMEFDD-UHFFFAOYSA-N	Perillaldehyde CPD-1084 Perillyl aldehyde perillyl aldehyde
bigg.metabolite:pylald biggM:pylald envipath:...5302129fc2ce envipathM:...5302129fc2ce lipidmaps:LMPR0102090010 lipidmapsM:LMPR0102090010 RUMOYJJNUMEFDD-UHFFFAOYSA-N	Perillyl aldehyde
hmdb:HMDB0003647 RUMOYJJNUMEFDD-UHFFFAOYSA-N	Perillyl aldehyde (+)-perillaldehyde (-)-Perillaldehyde 1,8-P-Menthadien-7-al 1-Perillaldehyde 4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde 4-(1-Methylethenyl)-1-cyclohexene1-carboxyaldehyde 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde 4-Isopropenylcyclohex-1-enecarbaldehyde 4-Mentha-1,8-dien-7-al DL-Perillaldehyde(for perfumery) Dihydrocuminyl aldehyde FEMA no. 3557 L-Perillaldehyde P-Mentha-1,8-dien-7-al (natural) Para-mentha-1,8-dien-7-al Perilla aldehyde Perillal Perillaldehyde Perillaldehyde, (+)-isomer Perillic aldehyde Perillylaldehyde p-Mentha-1,8-dien-7-al
kegg.compound:C02576 keggC:C02576 RUMOYJJNUMEFDD-UHFFFAOYSA-N	Perillyl aldehyde Perillaldehyde
CHEBI:15421 chebi:15421 RUMOYJJNUMEFDD-UHFFFAOYSA-N	perillyl aldehyde 4-(1-methylethenyl)-1-cyclohexene1-carboxyaldehyde 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde Perillaldehyde Perillyl aldehyde p-mentha-1,8-dien-7-al perillal perillic aldehyde perillylaldehyde
vmhM:pylald vmhmetabolite:pylald RUMOYJJNUMEFDD-UHFFFAOYSA-N	perillyl aldehyde 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde
metacyc.compound:CPD-1084 metacycM:CPD-1084 RUMOYJJNUMEFDD-UHFFFAOYSA-N	perillyl aldehyde perillaldehyde
hmdb:HMDB0006315 hmdb:HMDB03647 hmdb:HMDB06315 chebi:14773 chebi:25938 chebi:8023 biggM:M_pylald keggC:M_C02576 seedM:M_cpd01686 seedM:M_cpd34115 vmhM:M_pylald	secondary/obsolete/fantasy identifier