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CHEBI:176355 - Peonidin 3-O-galactoside

Default Structure
ChEBI IDCHEBI:176355
ChEBI NamePeonidin 3-O-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23O11.Cl
Net Charge0
Average Mass498.868
Monoisotopic Mass498.09289
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O.[Cl-]
InChIInChI=1S/C22H22O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26);1H/t17-,18+,19+,20-,22-;/m1./s1
InChIKeyVDTNZDSOEFSAIZ-HVOKISQTSA-N
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)
Peonidin 3-O-galactoside (CHEBI:176355) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Manual XrefsDatabases
21468907ChemSpider
Registry NumbersSources
CAS:28148-89-2ChemIDplus