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zealexin A1

Properties

Image

Occurences in reactions

MNX_ID

MNXM7886

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	1

formula

C₁₅H₂₁O₂

charge

-1

mass

233.1547

reference

InChIKey

IQKSHFZTCNUYOT-LLVKDONJSA-M

InChI

InChI=1S/C15H22O2/c1-15(2)9-3-4-13(10-15)11-5-7-12(8-6-11)14(16)17/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,16,17)/p-1/t11-/m1/s1

SMILES

CC1(C)CCC=C([C@@H]2CC=C(C(=O)[O-])CC2)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:141852 chebi:141852	zealexin A1 (1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-diene]-4-carboxylate (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylate zealexin A1(1-)
seed.compound:cpd23941 seedM:cpd23941	4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid zealexin A1
kegg.compound:C22011 keggC:C22011	Zealexin A1 (4S)-4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carboxylate
CHEBI:142278 chebi:142278	zealexin A1 (1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-diene]-4-carboxylic acid (4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid
metacyc.compound:CPD-13573 metacycM:CPD-13573	zealexin A1 4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid
keggC:M_C22011 seedM:M_cpd23941	secondary/obsolete/fantasy identifier