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CHEBI:176113 - Pelargonidin 5-galactoside

Default Structure
ChEBI IDCHEBI:176113
ChEBI NamePelargonidin 5-galactoside
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SubmitterMetaboLights
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FormulaC21H21O10
Net Charge+1
Average Mass433.389
Monoisotopic Mass433.11292
SMILESOCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(O)cc23)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-6-11(24)5-14-12(15)7-13(25)20(29-14)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16?,17-,18-,19?,21+/m0/s1
InChIKeyAFRWRFLTMADQHJ-FUEPZEPRSA-O
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 5-galactoside (CHEBI:176113) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,4S,5R)-2-[3,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842140ChemSpider
LMPK12010093LIPID MAPS