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CHEBI:190364 - 3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(2-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190364
ChEBI Name3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(2-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESO=C(O)C1OC(Oc2cc(O)cc(CCc3ccccc3O)c2)C(O)C(O)C1O
InChIInChI=1S/C20H22O9/c21-12-7-10(5-6-11-3-1-2-4-14(11)22)8-13(9-12)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-4,7-9,15-18,20-25H,5-6H2,(H,26,27)
InChIKeyLMGHKRZYTLFIGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(2-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190364) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(2-hydroxyphenyl)ethyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190364) is a stilbenoid (CHEBI:26776)
IUPAC Name 
3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(2-hydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135774HMDB