Feedback

(E)-caffeate

Properties

Image

Occurences in reactions

MNX_ID

MNXM726800

	#reac
in my sandbox	0
in MNXref (generic)	37
in models (compartimentalized)	15

formula

C₉H₇O₄

charge

-1

mass

179.03498

reference

chebi:57770

InChIKey

QAIPRVGONGVQAS-DUXPYHPUSA-M

InChI

InChI=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+

SMILES

O=C([O-])/C=C/c1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57770 chebi:57770	(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:dhcinnm biggM:dhcinnm	2,3-dihydroxicinnamic acid
bigg.metabolite:34dhcinm biggM:34dhcinm	3,4-Dihydroxy-trans-cinnamate
sabiork.compound:5437 sabiorkM:5437	3,4-Dihydroxy-trans-cinnamate trans-Caffeate
seed.compound:cpd30744 seedM:cpd30744	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
hmdb:HMDB0125102	3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3-(3,4-Dihydroxyphenyl)prop-2-enoate caffeyl alcohol
seed.compound:cpd22503 seedM:cpd22503	CAFFEATE
kegg.compound:C01197 keggC:C01197	Caffeate (2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoate 3,4-Dihydroxy-trans-cinnamate Caffeic acid trans-Caffeate
seed.compound:cpd00881 seedM:cpd00881	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
sabiork.compound:5610 sabiorkM:5610	Caffeate 3,4-Dihydroxycinnamate 3,4-Dihydroxycinnamic acid Caffeic acid cis-Caffeic acid
kegg.compound:C01481 keggC:C01481	Caffeate 3,4-Dihydroxycinnamic acid Caffeic acid
metacyc.compound:CAFFEATE metacycM:CAFFEATE	caffeate 3-(3,4-dihydroxyphenyl)prop-2-enoate caffeic acid
CHEBI:36281 chebi:36281	caffeic acid 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
envipath:...a7bf72291d62 envipathM:...a7bf72291d62	compound 0062886
envipath:...d96f5f683d65 envipathM:...d96f5f683d65	compound 0282696
metacyc.compound:CPD-676 metacycM:CPD-676	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
CHEBI:16433 chebi:16433	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
chebi:11691 chebi:11692 chebi:12870 chebi:1379 chebi:19877 chebi:41964 biggM:M_34dhcinm biggM:M_dhcinnm keggC:M_C01197 keggC:M_C01481 seedM:M_cpd00881 seedM:M_cpd22503 seedM:M_cpd30744	secondary/obsolete/fantasy identifier