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CHEBI:175592 - Cyanidin 3-galactoside

Default Structure
ChEBI IDCHEBI:175592
ChEBI NameCyanidin 3-galactoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O11
Net Charge+1
Average Mass449.388
Monoisotopic Mass449.10784
SMILESOCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O
InChIInChI=1S/C21H20O11/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)/p+1
InChIKeyRKWHWFONKJEUEF-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-galactoside (CHEBI:175592) 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
Manual XrefsDatabases
3679222ChemSpider
HMDB0125126HMDB