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perillate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2414

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

formula

C₁₀H₁₃O₂

charge

-1

mass

165.0921

reference

chebi:62641

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62641 chebi:62641	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	Perillic acid
hmdb:HMDB0004586	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	Perillic acid 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid 4-isopropenylcyclohex-1-enecarboxylic acid CPD-12443 perillate perillic acid perillyl carboxylate
metacyc.compound:CPD-12443 metacycM:CPD-12443	perillate 4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid 4-isopropenylcyclohex-1-enecarboxylic acid perillic acid perillyl carboxylate
CHEBI:36999 chebi:36999	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	secondary/obsolete/fantasy identifier