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CHEBI:176349 - Pelargonidin 3-O-galactoside

Default Structure
ChEBI IDCHEBI:176349
ChEBI NamePelargonidin 3-O-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O10
Net Charge+1
Average Mass433.389
Monoisotopic Mass433.11292
SMILESOCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C1O
InChIInChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1
InChIKeyABVCUBUIXWJYSE-UHFFFAOYSA-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-galactoside (CHEBI:176349) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
11557816ChemSpider
HMDB0033682HMDB