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

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perillate

	Properties	Image
MNX_ID	MNXM2414
reference	chebi:62641
formula	C₁₀H₁₃O₂
global charge	-1
mol weight	165.212
InChIKey	CDSMSBUVCWHORP-UHFFFAOYSA-M
InChI	InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/p-1
SMILES	C=C(C)C1CC=C(C(=O)[O-])CC1

MNX internals

InChI (mnx)	InChI=1/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8?
SMILES (mnx)	[CH2:1]=[C:7]([CH3:2])[CH:8]1[CH2:3][CH:5]=[C:9]([C:10](=[O:11])[OH:12])[CH2:6][CH2:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62641 chebi:62641 CDSMSBUVCWHORP-UHFFFAOYSA-M	perillate 4-(1-methylethenyl)-1-cyclohexene-1-carboxylate 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate 4-isopropenylcyclohex-1-enecarboxylate perillyl carboxylate
bigg.metabolite:peracd biggM:peracd envipath:...5167ec819549 envipathM:...5167ec819549 kegg.compound:C11924 keggC:C11924 lipidmaps:LMPR0102090041 lipidmapsM:LMPR0102090041 CDSMSBUVCWHORP-UHFFFAOYSA-M CDSMSBUVCWHORP-UHFFFAOYSA-N	Perillic acid
hmdb:HMDB0004586 CDSMSBUVCWHORP-UHFFFAOYSA-N	Perillic acid 4-(1-Methylethenyl)-1-cyclohexene-1-carboxylate 4-(1-Methylethenyl)-1-cyclohexene-1-carboxylic acid 4-(2-Propenyl)-1-cyclohexane-1-carboxylic acid 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid 4-Isopropenylcyclohex-1-ene carboxylic acid 4-Isopropenylcyclohex-1-enecarboxylate 4-Isopropenylcyclohex-1-enecarboxylic acid Perillate perillic acid
seed.compound:cpd08721 seedM:cpd08721 CDSMSBUVCWHORP-UHFFFAOYSA-M	Perillic acid 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid 4-isopropenylcyclohex-1-enecarboxylic acid CPD-12443 perillate perillic acid perillyl carboxylate
vmhM:peracd vmhmetabolite:peracd CDSMSBUVCWHORP-UHFFFAOYSA-M	Perillic acid 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
metacyc.compound:CPD-12443 metacycM:CPD-12443 CDSMSBUVCWHORP-UHFFFAOYSA-M	perillate 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid 4-isopropenylcyclohex-1-enecarboxylic acid perillic acid perillyl carboxylate
CHEBI:36999 chebi:36999 CDSMSBUVCWHORP-UHFFFAOYSA-N	perillic acid 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid 4-isopropenylcyclohex-1-enecarboxylic acid Perillic acid
hmdb:HMDB0006539 hmdb:HMDB04586 hmdb:HMDB06539 chebi:25936 chebi:29661 biggM:M_peracd keggC:M_C11924 seedM:M_cpd08721 vmhM:M_peracd	secondary/obsolete/fantasy identifier