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CHEBI:188383 - 3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:188383
ChEBI Name3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O8
Net Charge0
Average Mass400.383
Monoisotopic Mass400.11582
SMILESO=C(/C=C/c1ccccc1)c1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C21H20O8/c22-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)28-21-18(25)16(23)17(24)19(29-21)20(26)27/h1-11,16-19,21,23-25H,(H,26,27)/b10-9+
InChIKeyTWTQVIQWCKRMHD-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188383) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188383) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[3-[(E)-3-phenylprop-2-enoyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135447HMDB