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CHEBI:16210 - sinapoyltartronic acid

ChEBI IDCHEBI:16210
ChEBI Namesinapoyltartronic acid
Stars
DefinitionThe ester obtained from formal condensation of sinapic acid and hydroxymalonic acid.
Secondary ChEBI IDsCHEBI:9157, CHEBI:15089, CHEBI:26688
Last Modified1 October 2010
DownloadsMolfile
FormulaC14H14O9
Net Charge0
Average Mass326.257
Monoisotopic Mass326.06378
SMILESCOc1cc(/C=C/C(=O)OC(C(=O)O)C(=O)O)cc(OC)c1O
InChIInChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/b4-3+
InChIKeyBILXTXFCLYPNMR-ONEGZZNKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sinapoyltartronic acid (CHEBI:16210) has functional parent trans-sinapic acid (CHEBI:15714)
sinapoyltartronic acid (CHEBI:16210) is a carboxylic ester (CHEBI:33308)
sinapoyltartronic acid (CHEBI:16210) is a dicarboxylic acid (CHEBI:35692)
sinapoyltartronic acid (CHEBI:16210) is conjugate acid of sinapoyltartronate(2−) (CHEBI:57680)
Incoming Relation(s)
sinapoyltartronate(2−) (CHEBI:57680) is conjugate base of sinapoyltartronic acid (CHEBI:16210)
IUPAC Name 
[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioic acid
Synonyms  Source
SinapoyltartronateKEGG COMPOUND
{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}malonic acidChEBI
trans-sinapoyltartronateChEBI
Manual XrefsDatabases
C02750KEGG COMPOUND
C02750KEGG COMPOUND