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CHEBI:176112 - Petunidin 3-arabinoside

ChEBI IDCHEBI:176112
ChEBI NamePetunidin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O11.Cl
Net Charge0
Average Mass484.841
Monoisotopic Mass484.07724
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(O)c1O.[Cl-]
InChIInChI=1S/C21H20O11.ClH/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20;/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26);1H/t13-,18-,19+,21-;/m0./s1
InChIKeyDGLWRNZJQCODBU-IMBWBGPSSA-N
ChEBI Ontology
Outgoing Relation(s)
Petunidin 3-arabinoside (CHEBI:176112) is a flavonoids (CHEBI:72544)
Petunidin 3-arabinoside (CHEBI:176112) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual XrefsDatabases
52083807ChemSpider
Registry NumbersSources
CAS:679429-94-8ChemIDplus