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CHEBI:186423 - Gossypetin 3-glucoside

ChEBI IDCHEBI:186423
ChEBI NameGossypetin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O13
Net Charge0
Average Mass480.378
Monoisotopic Mass480.09039
SMILESO=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12
InChIInChI=1S/C21H20O13/c22-5-11-14(28)16(30)17(31)21(32-11)34-20-15(29)12-9(25)4-10(26)13(27)19(12)33-18(20)6-1-2-7(23)8(24)3-6/h1-4,11,14,16-17,21-28,30-31H,5H2/t11-,14-,16?,17?,21+/m1/s1
InChIKeyTYEYAUURGXCDJR-BOWCBMMSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Gossypetin 3-glucoside (CHEBI:186423) is a flavonoids (CHEBI:72544)
Gossypetin 3-glucoside (CHEBI:186423) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845711ChemSpider
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