EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176360 - Malvidin 3-O-arabinoside

ChEBI IDCHEBI:176360
ChEBI NameMalvidin 3-O-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23O11
Net Charge+1
Average Mass463.415
Monoisotopic Mass463.12349
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
InChIInChI=1S/C22H22O11/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)/p+1/t13-,18-,20+,22-/m0/s1
InChIKeyZWAAFZOEMBEAAF-TXOAXZHWSA-O
Species of MetaboliteComponentSourceComments
Malus sieversii (ncbitaxon:106567) exocarp;mesocarp (BTO:0000856) MetaboLights (MTBLS2863) Strain: Malus sieversii f. Neidzwetzkyana (Dieck) Langenf
ChEBI Ontology
Outgoing Relation(s)
Malvidin 3-O-arabinoside (CHEBI:176360) is a flavonoids (CHEBI:72544)
Malvidin 3-O-arabinoside (CHEBI:176360) 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
Manual XrefsDatabases
52083150ChemSpider
Registry NumbersSources
CAS:785047-89-4ChemIDplus