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CHEBI:193194 - 3,4,5-trihydroxy-6-{[(1E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:193194
ChEBI Name3,4,5-trihydroxy-6-{[(1E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O8
Net Charge0
Average Mass456.491
Monoisotopic Mass456.17842
SMILESO=C(CCc1ccccc1)CC(/C=C/c1ccccc1)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C25H28O8/c26-18(13-11-16-7-3-1-4-8-16)15-19(14-12-17-9-5-2-6-10-17)32-25-22(29)20(27)21(28)23(33-25)24(30)31/h1-10,12,14,19-23,25,27-29H,11,13,15H2,(H,30,31)/b14-12+
InChIKeyPEYXJMQMKHYQIR-WYMLVPIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[(1E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:193194) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid