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CHEBI:168023 - Myricetin 3-glucoside

ChEBI IDCHEBI:168023
ChEBI NameMyricetin 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(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17?,18?,21+/m1/s1
InChIKeyFOHXFLPXBUAOJM-ICSFOJPJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Myricetin 3-glucoside (CHEBI:168023) is a flavonoids (CHEBI:72544)
Myricetin 3-glucoside (CHEBI:168023) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12112420LIPID MAPS
24845110ChemSpider