Compound - MetaboFood

Name	Petunidin 3-glucoside
Alternative name	Petunidin 3-O-glucoside; petunidin 3-O-beta-D-glucoside
Formula	C₂₂H₂₃O₁₂+
Formula Weight	479.40 g/mol
Molecular Weight	479.40 g/mol
Monoisotopic Mass	479.119000 g/mol
InChI Key	CCQDWIRWKWIUKK-QKYBYQKWSA-O
IUPAC	(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI	InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1
SMILES	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2

Petunidin 3-glucoside