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CHEBI:176345 - Cyanidin 3-O-arabinoside

Default Structure
ChEBI IDCHEBI:176345
ChEBI NameCyanidin 3-O-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19O10
Net Charge+1
Average Mass419.362
Monoisotopic Mass419.09727
SMILESOC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
InChIInChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17-,18+,20-/m0/s1
InChIKeySBBFXSBQYRSIPP-GNBUJSLZSA-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)
Cyanidin 3-O-arabinoside (CHEBI:176345) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol
Manual XrefsDatabases
30777220ChemSpider
HMDB0037972HMDB