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CHEBI:169736 - delphinidin-3-O-arabinoside

ChEBI IDCHEBI:169736
ChEBI Namedelphinidin-3-O-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19O11.Cl
Net Charge0
Average Mass470.814
Monoisotopic Mass470.06159
SMILESOc1cc(O)c2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-]
InChIInChI=1S/C20H18O11.ClH/c21-8-3-10(22)9-5-15(31-20-18(28)17(27)13(25)6-29-20)19(30-14(9)4-8)7-1-11(23)16(26)12(24)2-7;/h1-5,13,17-18,20,25,27-28H,6H2,(H4-,21,22,23,24,26);1H/t13-,17-,18+,20-;/m0./s1
InChIKeyBQQCUFJAUJKCKH-GOWHUIJJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
delphinidin-3-O-arabinoside (CHEBI:169736) is a flavonoids (CHEBI:72544)
delphinidin-3-O-arabinoside (CHEBI:169736) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual XrefsDatabases
52083810ChemSpider
Registry NumbersSources
CAS:171370-55-1ChemIDplus