Petunidin 3-glucoside,化合物成分

Petunidin 3-glucoside

public_id

FDB017317

IUPAC 名称

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

描述

Present in red wine. Petunidin 3-glucoside is found in many foods, some of which are common grape, gooseberry, highbush blueberry, and sweet cherry.

CAS号

6988-81-4

异构

COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=CC(O)=C2

InChI标识符

InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1

键

CCQDWIRWKWIUKK-QKYBYQKWSA-O

平均分子量

479.1189512

id

17324

含有化合物的食物

食物id	食物名称
157	Gooseberry
825	Flour
205	Corn
187	Common wheat
204	Common grape
79	Common buckwheat
134	Common bean
888	Cereals and cereal products
211	Canada blueberry
766	Bulgur
270	Breakfast cereal
155	Blackcurrant
166	Black elderberry
136	Black chokeberry
193	Bilberry
88	Barley
236	Annual wild rice
192	American cranberry
289	Amaranth
884	Alcoholic beverages