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CHEBI:229161 - Malvidin-3-arabinoside

ChEBI IDCHEBI:229161
ChEBI NameMalvidin-3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23O11.Cl
Net Charge0
Average Mass498.868
Monoisotopic Mass498.09289
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.[Cl-]
InChIInChI=1S/C22H22O11.ClH/c1-29-15-3-9(4-16(30-2)19(15)27)21-17(33-22-20(28)18(26)13(25)8-31-22)7-11-12(24)5-10(23)6-14(11)32-21;/h3-7,13,18,20,22,25-26,28H,8H2,1-2H3,(H2-,23,24,27);1H/t13-,18-,20+,22-;/m0./s1
InChIKeyFXWDXPVECLXGRZ-XIGYXKQDSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Malvidin-3-arabinoside (CHEBI:229161) is a flavonoids (CHEBI:72544)
Malvidin-3-arabinoside (CHEBI:229161) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
Manual XrefsDatabases
52083805ChemSpider