Compound - MetaboFood

Name	Delphinidin-o-glucuronide
Alternative name	Delphinidin 3-xyloside
Formula	C₂₀H₁₉O₁₁+
Formula Weight	435.40 g/mol
Molecular Weight	435.40 g/mol
Monoisotopic Mass	435.093000 g/mol
InChI Key	WIEYMFHXYNRELM-MJKGWSOKSA-O
IUPAC	5-[3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol
InChI	InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

Delphinidin-o-glucuronide