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CHEBI:176352 - Pelargonidin 3-O-arabinoside

ChEBI IDCHEBI:176352
ChEBI NamePelargonidin 3-O-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19O9
Net Charge+1
Average Mass403.363
Monoisotopic Mass403.10236
SMILESOc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)C(O)C2O)cc1
InChIInChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17?,18?,20-/m0/s1
InChIKeyLEJPLPFWLUXHCB-VLNXYBQZSA-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)
Pelargonidin 3-O-arabinoside (CHEBI:176352) is a flavonoids (CHEBI:72544)
Pelargonidin 3-O-arabinoside (CHEBI:176352) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
24842136ChemSpider
LMPK12010089LIPID MAPS