Compound - MetaboFood

Name	Peonidin-o-glucuronide
Alternative name	Phytohub ID PHUB001285
Formula	C₂₃H₂₃O₁₂
Formula Weight	491.12 g/mol
Molecular Weight	491.12 g/mol
Monoisotopic Mass	491.429000 g/mol
InChI Key	KGHFAKPGOXLHAB-RCLSDMTESA-O
IUPAC	3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-5,7-diol
InChI	InChI=1S/C21H20O10/c1-28-15-4-9(2-3-12(15)24)20-16(30-21-19(27)18(26)17(8-22)31-21)7-11-13(25)5-10(23)6-14(11)29-20/h2-7,17-19,21-22,26-27H,8H2,1H3,(H2-,23,24,25)/p+1/t17-,18+,19-,21-/m1/s1
SMILES	COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1

Peonidin-o-glucuronide