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CHEBI:58793 - 2-O-sinapoyl-D-glucarate(2−)

ChEBI IDCHEBI:58793
ChEBI Name2-O-sinapoyl-D-glucarate(2−)
Stars
ASCII Name2-O-sinapoyl-D-glucarate(2-)
DefinitionDicarboxylate anion of 2-O-sinapoyl-D-glucaric acid.
Last Modified8 July 2020
DownloadsMolfile
FormulaC17H18O12
Net Charge-2
Average Mass414.319
Monoisotopic Mass414.08092
SMILESCOc1cc(/C=C/C(=O)O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])cc(OC)c1O
InChIInChI=1S/C17H20O12/c1-27-8-5-7(6-9(28-2)11(8)19)3-4-10(18)29-15(17(25)26)13(21)12(20)14(22)16(23)24/h3-6,12-15,19-22H,1-2H3,(H,23,24)(H,25,26)/p-2/b4-3+/t12-,13-,14-,15+/m0/s1
InChIKeyXQQYFEOTBHJJDK-GRRSETRSSA-L
ChEBI Ontology
Outgoing Relation(s)
2-O-sinapoyl-D-glucarate(2−) (CHEBI:58793) is a dicarboxylic acid dianion (CHEBI:28965)
2-O-sinapoyl-D-glucarate(2−) (CHEBI:58793) is conjugate base of 2-O-sinapoyl-D-glucaric acid (CHEBI:49198)
Incoming Relation(s)
2-O-sinapoyl-D-glucaric acid (CHEBI:49198) is conjugate acid of 2-O-sinapoyl-D-glucarate(2−) (CHEBI:58793)
IUPAC Name 
2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucarate
Synonym  Source
(2S,3S,4S,5R)-2,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexanedioateChEBI
UniProt Name  Source
2-O-[(E)-sinapoyl]-D-glucarateUniProt