CHEBI:226863 - (2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid

ChEBI IDCHEBI:226863
ChEBI Name(2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O10
Net Charge0
Average Mass456.403
Monoisotopic Mass456.10565
SMILESO=C(O)C[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/m0/s1
InChIKeyVJLMRHSHSNLOGC-NOPZTHQXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid (CHEBI:226863) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
(2R,3S)-2,3-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]pentanedioic acid
Manual XrefsDatabases
OFFPDBeChem
9844429ChemSpider
DB08322DrugBank