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CHEBI:176111 - Peonidin 3-arabinoside

ChEBI IDCHEBI:176111
ChEBI NamePeonidin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O10.Cl
Net Charge0
Average Mass468.842
Monoisotopic Mass468.08232
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1O.[Cl-]
InChIInChI=1S/C21H20O10.ClH/c1-28-16-4-9(2-3-12(16)23)20-17(31-21-19(27)18(26)14(25)8-29-21)7-11-13(24)5-10(22)6-15(11)30-20;/h2-7,14,18-19,21,25-27H,8H2,1H3,(H2-,22,23,24);1H/t14-,18-,19+,21-;/m0./s1
InChIKeyZTQGIZPDDMLVHP-KFTCICMSSA-N
ChEBI Ontology
Outgoing Relation(s)
Peonidin 3-arabinoside (CHEBI:176111) is a flavonoids (CHEBI:72544)
Peonidin 3-arabinoside (CHEBI:176111) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual XrefsDatabases
52083811ChemSpider
Registry NumbersSources
CAS:524943-91-7ChemIDplus