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CHEBI:176108 - Pelargonidin 3-galactoside

Default Structure
ChEBI IDCHEBI:176108
ChEBI NamePelargonidin 3-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O10.Cl
Net Charge0
Average Mass468.842
Monoisotopic Mass468.08232
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O.[Cl-]
InChIInChI=1S/C21H20O10.ClH/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);1H/t16-,17+,18+,19-,21-;/m1./s1
InChIKeyCAHGSEFWVUVGGL-QSLGVYCOSA-N
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-galactoside (CHEBI:176108) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
Manual XrefsDatabases
17345956ChemSpider
Registry NumbersSources
CAS:34425-22-4ChemIDplus