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CHEBI:17470 - 2-O-caffeoylglucaric acid

ChEBI IDCHEBI:17470
ChEBI Name2-O-caffeoylglucaric acid
Stars
ASCII Name2-O-caffeoylglucaric acid
Secondary ChEBI IDsCHEBI:1227, CHEBI:11484, CHEBI:19429
Last Modified3 August 2014
DownloadsMolfile
FormulaC15H16O11
Net Charge0
Average Mass372.282
Monoisotopic Mass372.06926
SMILESO=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
InChIInChI=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)/b4-2+/t10-,11-,12-,13+/m0/s1
InChIKeyOMIXKOJEIRRAJW-CDEBNWADSA-N
ChEBI Ontology
Outgoing Relation(s)
2-O-caffeoylglucaric acid (CHEBI:17470) has functional parent glucaric acid (CHEBI:17301)
2-O-caffeoylglucaric acid (CHEBI:17470) is a glucaric acid derivative (CHEBI:33797)
2-O-caffeoylglucaric acid (CHEBI:17470) is conjugate acid of 2-O-caffeoylglucarate(2−) (CHEBI:58157)
Incoming Relation(s)
2-O-caffeoylglucarate(2−) (CHEBI:58157) is conjugate base of 2-O-caffeoylglucaric acid (CHEBI:17470)
IUPAC Name 
2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucaric acid
Synonyms  Source
2-O-CaffeoylglucarateKEGG COMPOUND
2-O-caffeoylglucarateChEBI
Manual XrefsDatabases
C03062KEGG COMPOUND
C03062KEGG COMPOUND