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CHEBI:176116 - Peonidin 3-xyloside

Default Structure
ChEBI IDCHEBI:176116
ChEBI NamePeonidin 3-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O10
Net Charge+1
Average Mass433.389
Monoisotopic Mass433.11292
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1
InChIKeyKGHFAKPGOXLHAB-RCLSDMTESA-O
ChEBI Ontology
Outgoing Relation(s)
Peonidin 3-xyloside (CHEBI:176116) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-5,7-diol
Manual XrefsDatabases
30777646ChemSpider
HMDB0041767HMDB