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zealexin A1

PropertiesImage
MNX_IDMNXM7886 Image of MNXM7886
referencechebi:141852
formulaC15H21O2
global charge-1
mol weight233.331
InChIKeyIQKSHFZTCNUYOT-LLVKDONJSA-M
InChIInChI=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
SMILESCC1(C)CCC=C([C@@H]2CC=C(C(=O)[O-])CC2)C1
MNX internals
InChI (mnx)InChI=1/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)/t11-/m1/s1 Image of MNXM7886
SMILES (mnx)[CH3:1][C:15]1([CH3:2])[CH2:9][CH2:3][CH:4]=[C:13]([C@@H:11]2[CH2:5][CH:7]=[C:12]([C:14](=[O:16])[OH:17])[CH2:8][CH2:6]2)[CH2:10]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:141852
chebi:141852
IQKSHFZTCNUYOT-LLVKDONJSA-M 		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
IQKSHFZTCNUYOT-LLVKDONJSA-M 		4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylic acid
zealexin A1

kegg.compound:C22011
keggC:C22011
IQKSHFZTCNUYOT-LLVKDONJSA-N 		Zealexin A1
(4S)-4-(5,5-Dimethylcyclohex-1-en-1-yl)cyclohex-1-ene-1-carboxylate

CHEBI:142278
chebi:142278
IQKSHFZTCNUYOT-LLVKDONJSA-N 		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
IQKSHFZTCNUYOT-LLVKDONJSA-M 		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