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CHEBI:193180 - 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

ChEBI IDCHEBI:193180
ChEBI Name5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11
Net Charge0
Average Mass448.380
Monoisotopic Mass448.10056
SMILESO=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c(O)c12
InChIInChI=1S/C21H20O11/c22-6-11-14(25)17(28)19(30)21(32-11)13-16(27)18(29)15(26)12-9(24)5-10(31-20(12)13)7-1-3-8(23)4-2-7/h1-5,11,14,17,19,21-23,25-30H,6H2
InChIKeyMTKKUIGAGJCMCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one (CHEBI:193180) is a C-glycosyl compound (CHEBI:20857)
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one (CHEBI:193180) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one