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CHEBI:188377 - 3,4,5-trihydroxy-6-{3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:188377
ChEBI Name3,4,5-trihydroxy-6-{3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESO=C(O)C1OC(Oc2cccc(CC(O)Cc3c(O)cc(O)cc3O)c2)C(O)C(O)C1O
InChIInChI=1S/C21H24O11/c22-10(6-13-14(24)7-11(23)8-15(13)25)4-9-2-1-3-12(5-9)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-3,5,7-8,10,16-19,21-28H,4,6H2,(H,29,30)
InChIKeyIMCNWTRNSWRRIH-UHFFFAOYSA-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-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy}oxane-2-carboxylic acid (CHEBI:188377) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[3-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127751HMDB