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CHEBI:184391 - 3,4,5-trihydroxy-6-{[(2E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:184391
ChEBI Name3,4,5-trihydroxy-6-{[(2E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O11
Net Charge0
Average Mass372.282
Monoisotopic Mass372.06926
SMILESO=C(/C=C/c1cc(O)c(O)cc1O)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C15H16O11/c16-6-4-8(18)7(17)3-5(6)1-2-9(19)25-15-12(22)10(20)11(21)13(26-15)14(23)24/h1-4,10-13,15-18,20-22H,(H,23,24)/b2-1+
InChIKeyRRUQVLJHTGGMEB-OWOJBTEDSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[(2E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid (CHEBI:184391) has functional parent hydroxycinnamic acid (CHEBI:24689)
3,4,5-trihydroxy-6-{[(2E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid (CHEBI:184391) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxyoxane-2-carboxylic acid