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CHEBI:208805 - 2,3,4-trihydroxybutyl cinnamate

ChEBI IDCHEBI:208805
ChEBI Name2,3,4-trihydroxybutyl cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESO=C(/C=C/c1ccccc1)OCC(O)C(O)CO
InChIInChI=1S/C13H16O5/c14-8-11(15)12(16)9-18-13(17)7-6-10-4-2-1-3-5-10/h1-7,11-12,14-16H,8-9H2/b7-6+
InChIKeyHNMDBCIBTWJOCM-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31470583)
ChEBI Ontology
Outgoing Relation(s)
2,3,4-trihydroxybutyl cinnamate (CHEBI:208805) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
2,3,4-trihydroxybutyl (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
81131476ChemSpider