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capsiate

PropertiesImage
MNX_IDMNXM45457 Image of MNXM45457
referencechebi:134190
formulaC18H26O4
global charge0
mol weight306.402
InChIKeyZICNYIDDNJYKCP-SOFGYWHQSA-N
InChIInChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+
SMILESCOC1=C(O)C=CC(COC(=O)CCCC/C=C/C(C)C)=C1
MNX internals
InChI (mnx)InChI=1/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+ Image of MNXM45457
SMILES (mnx)[CH3:1][CH:14]([CH3:2])/[CH:8]=[CH:6]/[CH2:4][CH2:5][CH2:7][CH2:9][C:18](=[O:20])[O:22][CH2:13][C:15]1=[CH:12][C:17]([O:21][CH3:3])=[C:16]([OH:19])[CH:11]=[CH:10]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134190
chebi:134190
ZICNYIDDNJYKCP-SOFGYWHQSA-N 		capsiate
(4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate
vanillyl (6E)-8-methylnon-6-enoate

seed.compound:cpd21436
seedM:cpd21436
kegg.compound:C20203
keggC:C20203
ZICNYIDDNJYKCP-SOFGYWHQSA-N 		Capsiate
hmdb:HMDB0034780
ZICNYIDDNJYKCP-SOFGYWHQSA-N 		Capsiate
(4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate
4-Hydroxy-3-methoxybenzyl 8-methyl-6-nonenoate
Capsiic acid
Dihydrocapsiate
Nonanoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester
Vanillyl (6E)-8-methylnon-6-enoate
Vanillyl (6E)-8-methylnon-6-enoic acid

hmdb:HMDB34780
keggC:M_C20203
seedM:M_cpd21436 		secondary/obsolete/fantasy identifier