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caffeic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM1377671

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	3

formula

C₉H₈O₄

charge

mass

180.159

reference

InChIKey

QAIPRVGONGVQAS-UHFFFAOYSA-N

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)

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36281 chebi:36281	caffeic acid 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
bigg.metabolite:dhcinnm biggM:dhcinnm vmhM:dhcinnm vmhmetabolite:dhcinnm	2,3-dihydroxicinnamic acid
seed.compound:cpd22503 seedM:cpd22503	CAFFEATE
sabiork.compound:5610 sabiorkM:5610	Caffeate 3,4-Dihydroxycinnamate 3,4-Dihydroxycinnamic acid Caffeic acid cis-Caffeic acid
metacyc.compound:CAFFEATE metacycM:CAFFEATE	caffeate 3-(3,4-dihydroxyphenyl)prop-2-enoate caffeic acid
envipath:...a7bf72291d62 envipathM:...a7bf72291d62	compound 0062886
biggM:M_dhcinnm seedM:M_cpd22503	secondary/obsolete/fantasy identifier