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CHEBI:186092 - Myricetin 5-methyl ether 7-glucoside

ChEBI IDCHEBI:186092
ChEBI NameMyricetin 5-methyl ether 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O13
Net Charge0
Average Mass494.405
Monoisotopic Mass494.10604
SMILESCOc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O)c(=O)c12
InChIInChI=1S/C22H22O13/c1-32-11-4-8(33-22-20(31)18(29)16(27)13(6-23)35-22)5-12-14(11)17(28)19(30)21(34-12)7-2-9(24)15(26)10(25)3-7/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13?,16-,18+,20?,22-/m1/s1
InChIKeyADZVQTOLVGOLAN-SXSNBUHTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Myricetin 5-methyl ether 7-glucoside (CHEBI:186092) is a flavonoids (CHEBI:72544)
Myricetin 5-methyl ether 7-glucoside (CHEBI:186092) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-5-methoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24845228ChemSpider
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