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2-O-caffeoylglucarate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4299

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₅H₁₄O₁₁

charge

-2

mass

370.05471

reference

chebi:58157

InChIKey

OMIXKOJEIRRAJW-CDEBNWADSA-L

InChI

InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58157 chebi:58157	2-O-caffeoylglucarate 2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucarate 2-O-caffeoylglucarate dianion 2-O-caffeoylglucarate(2-)
kegg.compound:C03062 keggC:C03062	2-O-Caffeoylglucarate
seed.compound:cpd01959 seedM:cpd01959	2-O-Caffeoylglucarate 2-O-caffeoylglucarate
metacyc.compound:2-O-CAFFEOYLGLUCARATE metacycM:2-O-CAFFEOYLGLUCARATE	2-O-caffeoylglucarate
CHEBI:17470 chebi:17470	2-O-caffeoylglucaric acid 2-O-Caffeoylglucarate 2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucaric acid 2-O-caffeoylglucarate
chebi:11484 chebi:1227 chebi:19429 keggC:M_C03062 seedM:M_cpd01959	secondary/obsolete/fantasy identifier