Cyanidin 3,5-diglucoside,化合物成分

Cyanidin 3,5-diglucoside

public_id

FDB002597

IUPAC 名称

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

描述

Cyanidin 3,5-diglucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3,5-diglucoside can be found in a number of food items such as white cabbage, redcurrant, pineapple, and red raspberry, which makes cyanidin 3,5-diglucoside a potential biomarker for the consumption of these food products.

CAS号

2611-67-8

异构

OC[C@H]1O[C@@H](OC2=CC3=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI标识符

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17?,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

键

RDFLLVCQYHQOBU-QZTFBGFRSA-O

平均分子量

611.161209944

id

2597

含有化合物的食物

食物id	食物名称
12	Pineapple
348	Malus (Crab apple)
191	Highbush blueberry
96	Grass pea
374	Grape
157	Gooseberry
206	Ginger
6	Garden onion
101	Flaxseed
141	Common pea
204	Common grape
134	Common bean
9	Chives
881	Cabbage
155	Blackcurrant
166	Black elderberry
136	Black chokeberry
21	Asparagus
105	Apple
192	American cranberry