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(E)-caffeate

PropertiesImage
MNX_IDMNXM1370997 Image of MNXM1370997
referencechebi:57770
formulaC9H7O4
global charge-1
mol weight179.151
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-M
InChIInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+
SMILESO=C([O-])/C=C/C1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ Image of MNXM1370997
SMILES (mnx)[CH:1]1=[CH:3][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1/[CH:2]=[CH:4]/[C:9](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)31
in models (compartimentalized) 14
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57770
chebi:57770
QAIPRVGONGVQAS-DUXPYHPUSA-M 		(E)-caffeate
(2E)-3-(3,4-dihydroxyphenyl)acrylate
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3,4-dihydroxy-trans-cinnamate
trans-caffeate
trans-caffeate anion
trans-caffeate(1-)

bigg.metabolite:34dhcinm
biggM:34dhcinm
QAIPRVGONGVQAS-DUXPYHPUSA-M 		3,4-Dihydroxy-trans-cinnamate

sabiork.compound:5437
sabiorkM:5437
QAIPRVGONGVQAS-DUXPYHPUSA-N 		3,4-Dihydroxy-trans-cinnamate
trans-Caffeate

seed.compound:cpd30744
seedM:cpd30744
QAIPRVGONGVQAS-DUXPYHPUSA-M 		3,4-Dihydroxycinnamic acid
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
3,4-Dihydroxy-trans-cinnamate
3,4-dihydroxy-trans-cinnamate
Caffeate
Caffeic acid
cis-Caffeic acid
trans-Caffeate
trans-caffeate
trans-caffeic acid

kegg.compound:C01197
keggC:C01197
QAIPRVGONGVQAS-DUXPYHPUSA-N 		Caffeate
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoate
3,4-Dihydroxy-trans-cinnamate
Caffeic acid
trans-Caffeate

seed.compound:cpd00881
seedM:cpd00881
QAIPRVGONGVQAS-DUXPYHPUSA-M 		Caffeate
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
3,4-Dihydroxy-trans-cinnamate
3,4-Dihydroxycinnamic acid
3,4-dihydroxy-trans-cinnamate
34dhcinm
Caffeic acid
cis-Caffeic acid
trans-Caffeate
trans-caffeate
trans-caffeic acid

kegg.compound:C01481
keggC:C01481
QAIPRVGONGVQAS-DUXPYHPUSA-N 		Caffeate
3,4-Dihydroxycinnamic acid
Caffeic acid

CHEBI:178076
chebi:178076
QAIPRVGONGVQAS-DUXPYHPUSA-N 		Caffeic Acid-13C9
(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
hmdb:HMDB0001964
QAIPRVGONGVQAS-DUXPYHPUSA-N 		Caffeic acid
(2E)-(3,4-Dihydroxyphenyl)-2-propenoic acid
(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoic acid;
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
(e)-3,4-Dihydroxycinnamic acid
(e)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid
(e)-3-(3,4-Dihydroxyphenyl)acrylic acid
(e)-Caffeic acid
3',4'-Dihydroxycinnamic acid
3,4-Dihydroxy-trans-cinnamate
3,4-Dihydroxy-trans-cinnamic acid
3,4-Dihydroxybenzeneacrylic acid
3,4-Dihydroxycinnamate
3,4-Dihydroxycinnamic acid
3-(3,4-Dihydroxyphenyl)-2-propenoic acid
3-(3,4-Dihydroxyphenyl)propenoic acid
4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
4-(2'-carboxyvinyl)-1,2-dihydroxybenzene
4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
Caffeate
Caffeic acid, (e)-isomer
Caffeic acid, monosodium salt
DHCA
Sodium caffeate
caffeic acid
trans-3,4-Dihydroxycinnamic acid
trans-Caffeate

envipath:...d96f5f683d65
envipathM:...d96f5f683d65
QAIPRVGONGVQAS-DUXPYHPUSA-M 		compound 0282696

metacyc.compound:CPD-676
metacycM:CPD-676
QAIPRVGONGVQAS-DUXPYHPUSA-M 		trans-caffeate
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
3,4-dihydroxy-cinnamate
trans-caffeic acid

vmhM:34dhcinm
vmhmetabolite:34dhcinm
QAIPRVGONGVQAS-DUXPYHPUSA-M 		trans-caffeate
(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

CHEBI:16433
chebi:16433
QAIPRVGONGVQAS-DUXPYHPUSA-N 		trans-caffeic acid
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
3,4-Dihydroxy-trans-cinnamate
3,4-Dihydroxycinnamic acid
3,4-dihydroxy-trans-cinnamate
CAFFEIC ACID
Caffeic acid
trans-Caffeate
trans-caffeate

hmdb:HMDB01964
chebi:11691
chebi:11692
chebi:12870
chebi:1379
chebi:19877
chebi:41964
biggM:M_34dhcinm
keggC:M_C01197
keggC:M_C01481
seedM:M_cpd00881
seedM:M_cpd30744
vmhM:M_34dhcinm 		secondary/obsolete/fantasy identifier