Compound - MetaboFood

Name	Cyanidin-methyl-glucoside
Alternative name	Cyanidin 3-Xyloside
Formula	C₂₀H₁₉O₁₀+
Formula Weight	419.40 g/mol
Molecular Weight	419.40 g/mol
Monoisotopic Mass	419.098000 g/mol
InChI Key	SBBFXSBQYRSIPP-AJYBTWMASA-O
IUPAC	3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromenylium-5,7-diol
InChI	InChI=1S/C20H18O10/c21-7-16-17(26)18(27)20(30-16)29-15-6-10-12(24)4-9(22)5-14(10)28-19(15)8-1-2-11(23)13(25)3-8/h1-6,16-18,20-21,26-27H,7H2,(H3-,22,23,24,25)/p+1/t16-,17+,18-,20-/m1/s1
SMILES	[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]1([H])O

Cyanidin-methyl-glucoside