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CHEBI:186754 - Gossypetin 7,8-dimethyl ether 4'-glucoside

ChEBI IDCHEBI:186754
ChEBI NameGossypetin 7,8-dimethyl ether 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)c(O)c3)oc2c1OC
InChIInChI=1S/C23H24O13/c1-32-12-6-10(26)14-16(28)18(30)20(36-22(14)21(12)33-2)8-3-4-11(9(25)5-8)34-23-19(31)17(29)15(27)13(7-24)35-23/h3-6,13,15,17,19,23-27,29-31H,7H2,1-2H3/t13?,15-,17?,19?,23-/m1/s1
InChIKeyJQTSPDOLJNZJQH-AXWLHTBJSA-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 7,8-dimethyl ether 4'-glucoside (CHEBI:186754) is a flavonoids (CHEBI:72544)
Gossypetin 7,8-dimethyl ether 4'-glucoside (CHEBI:186754) is a glycoside (CHEBI:24400)
IUPAC Name 
3,5-dihydroxy-2-[3-hydroxy-4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7,8-dimethoxychromen-4-one
Manual XrefsDatabases
LMPK12113207LIPID MAPS
24845738ChemSpider