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CHEBI:189019 - Cyanidin 3-arabinoside

ChEBI IDCHEBI:189019
ChEBI NameCyanidin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19O10.Cl
Net Charge0
Average Mass454.815
Monoisotopic Mass454.06667
SMILESOc1cc(O)c2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-]
InChIInChI=1S/C20H18O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24);1H/t14-,17-,18+,20-;/m0./s1
InChIKeyORTBMTXABUAMJS-HAHUOHMJSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
Cyanidin 3-arabinoside (CHEBI:189019) is a flavonoids (CHEBI:72544)
Cyanidin 3-arabinoside (CHEBI:189019) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual XrefsDatabases
32674242ChemSpider
Registry NumbersSources
CAS:111613-04-8ChemIDplus