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

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perillyl alcohol

	Properties	Image
MNX_ID	MNXM731538
reference	chebi:15420
formula	C₁₀H₁₆O
global charge	0
mol weight	152.237
InChIKey	NDTYTMIUWGWIMO-UHFFFAOYSA-N
InChI	InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
SMILES	C=C(C)C1CC=C(CO)CC1

MNX internals

InChI (mnx)	InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10?
SMILES (mnx)	[CH2:1]=[C:8]([CH3:2])[CH:10]1[CH2:5][CH:3]=[C:9]([CH2:7][OH:11])[CH2:4][CH2:6]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:15420 chebi:15420 NDTYTMIUWGWIMO-UHFFFAOYSA-N	perillyl alcohol 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene 1-perillalcohol 4-(1-Methylethenyl)-1-cyclohexene-1-methanol 4-Isopropenyl-1-cyclohexene carbinol 4-Isopropenylcyclohex-1-en-1-ylmethanol Isocarveol Perilla alcohol Perillol [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol dihydrocuminyl alcoholn p-Mentha-1,8-dien-7-ol
bigg.metabolite:perillyl biggM:perillyl envipath:...b434f21a7de3 envipathM:...b434f21a7de3 NDTYTMIUWGWIMO-UHFFFAOYSA-N	Perillyl alcohol
hmdb:HMDB0003634 NDTYTMIUWGWIMO-UHFFFAOYSA-N	Perillyl alcohol (-)-Perillyl alcohol (-)-p-Mentha-1,8-dien-7-ol (-)-perillylalcohol (S)-(-)-Perillyl alcohol (S)-Perillyl alcohol 1,8-p-Menthadien-7-ol 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene 1-Perillalcohol 4-(1-Methylethenyl)-1-cyclohexene-1-methanol 4-Isopropenyl-1-cyclohexene carbinol 4-Isopropenyl-cyclohex-1-ene-1-methanol 4-Isopropenylcyclohex-1-en-1-ylmethanol Cyclohex-1-ene-1-methanol, 4(1-methylethenyl) Dihydrocuminic alcohol Dihydrocuminyl alcohol Dihydrocuminyl alcoholn Hydrocumin alcohol Iso-carveol Isocarveol Para-mentha-1,8-dien-7-ol Perill alcohol Perilla alcohol Perilla alcohol, (R)-isomer Perilla alcohol, (S)-isomer Perillic alcohol Perillol [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol p-Mentha-1,8-dien-7-ol
seed.compound:cpd27846 seedM:cpd27846 NDTYTMIUWGWIMO-UHFFFAOYSA-N	Perillyl-Alcohols
metacyc.compound:Perillyl-Alcohols metacycM:Perillyl-Alcohols NDTYTMIUWGWIMO-UHFFFAOYSA-N	perillyl alcohol [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
hmdb:HMDB03634 chebi:14772 chebi:18496 chebi:8022 biggM:M_perillyl seedM:M_cpd27846	secondary/obsolete/fantasy identifier