Pelargonidin 3-glucoside

Molecular Formula: C₂₁H₂₁O₁₀⁺

InChI: InChI=1/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/fC21H21O10/h23-25H/q+1

InChIKey: InChIKey=ABVCUBUIXWJYSE-NLVAUCIXDT
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 18466-51-8

Names:
    Pelargonidin 3-glucoside
    Pelargonidin 3-O-beta-D-glucoside
    pelargonidin 3-O-beta-D-glucoside
    Pelargonidin 3-O-glucoside
    Pelargonidin-3-glucopyranoside
    Pelargonidin-3-glucoside
    (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
    3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride

Registries:
    PubChem CID 443648
    Beilstein =1672351
    Beilstein =3919123
    CAS 18466-51-8 (from NIST)
    ChEBI 31967
    Kegg C12137
    PubChem ID 10299343
    PubChem ID 14284