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CHEBI:189578 - cyanidin 3-glucoside

Default Structure
ChEBI IDCHEBI:189578
ChEBI Namecyanidin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O11.Cl
Net Charge0
Average Mass484.841
Monoisotopic Mass484.07724
SMILESOCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O.[Cl-]
InChIInChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H
InChIKeyYTMNONATNXDQJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) MetaboLights (MTBLS2413)
ChEBI Ontology
Outgoing Relation(s)
cyanidin 3-glucoside (CHEBI:189578) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Manual XrefsDatabases
10716851ChemSpider