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CHEBI:182482 - (2s,3s)-2-{[(2e)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid

ChEBI IDCHEBI:182482
ChEBI Name(2s,3s)-2-{[(2e)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O8
Net Charge0
Average Mass312.274
Monoisotopic Mass312.08452
SMILESC[C@@](OC(=O)/C=C/c1ccc(O)c(O)c1)(C(=O)O)[C@@H](O)CO
InChIInChI=1S/C14H16O8/c1-14(13(20)21,11(18)7-15)22-12(19)5-3-8-2-4-9(16)10(17)6-8/h2-6,11,15-18H,7H2,1H3,(H,20,21)/b5-3+/t11-,14-/m0/s1
InChIKeyVFNQXFLXWICPJF-ACIZLPDLSA-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)
(2s,3s)-2-{[(2e)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid (CHEBI:182482) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid
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