Compound - MetaboFood

Name	Peonidin-3,5-o-diglucoside
Alternative name	Peonidin 3,5-diglucoside
Formula	C₂₈H₃₃O₁₆+
Formula Weight	625.60 g/mol
Molecular Weight	625.60 g/mol
Monoisotopic Mass	625.177000 g/mol
InChI Key	IPVSUYLZIAYTOK-PPOCMUPWSA-O
IUPAC	(2S,4S,5S)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI	InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
SMILES	COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Peonidin-3,5-o-diglucoside