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Pelargonidin-3-o-glucoside

C21H21O10+ 433.4 g/mol
H O O O H O O H O + O H O H H O H O
Name Pelargonidin-3-o-glucoside
Alternative name Pelargonidin 3-glucoside
Formula C21H21O10+
Formula Weight 433.40 g/mol
Molecular Weight 433.40 g/mol
Monoisotopic Mass 433.113000 g/mol
InChI Key ABVCUBUIXWJYSE-GQUPQBGVSA-O
IUPAC (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI InChI=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/t16-,17-,18+,19-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Food Berry, 
Food Source Raspberry, 
Family Phenolic
Class Flavonoid
Subclass Group Coumarin derivative
Subclass Anthocyanin
Metabolite Anthocyanin metabolite
CASNO 47684-27-5
HMDB HMDB0240551
PubChem 443648
KEGG C12137
FooDB FDB012426
DrugBank DB01904
ChEBI 31967
BioCyc PELARGONIDIN-3-GLUCOSIDE-CMPD
METLIN 3462.0