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CHEBI:175594 - Cyanidin 4'-glucoside

ChEBI IDCHEBI:175594
ChEBI NameCyanidin 4'-glucoside
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FormulaC21H21O11
Net Charge+1
Average Mass449.388
Monoisotopic Mass449.10784
SMILESOCC1OC(Oc2ccc(-c3[o+]c4cc(O)cc(O)c4cc3O)cc2O)C(O)C(O)C1O
InChIInChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
InChIKeyCSNMEDJMOXSNRZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 4'-glucoside (CHEBI:175594) is a anthocyanin (CHEBI:38697)
IUPAC Name 
2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol
Manual XrefsDatabases
HMDB0037990HMDB