pelargonidin-3-O-rutinoside
IUPAC 名称
7-hydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1λ⁴-chromen-1-ylium-5-olate
描述
Pelargonidin-3-o-rutinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin-3-o-rutinoside can be found in a number of food items such as elderberry, black raspberry, oregon yampah, and greenthread tea, which makes pelargonidin-3-o-rutinoside a potential biomarker for the consumption of these food products.
异构
CC1OC(OCC2OC(OC3=CC4=C(C=C(O)C=C4[O-])[O+]=C3C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O
InChI标识符
InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)
键
IFYOHQQBIKDHFT-UHFFFAOYSA-N