public_id

FDB031088

IUPAC 名称

3-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium-5-olate

描述

Pelargonidin 3-o-β-d-caffeoylglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-o-β-d-caffeoylglucoside can be found in a number of food items such as cauliflower, swamp cabbage, enokitake, and sunflower, which makes pelargonidin 3-o-β-d-caffeoylglucoside a potential biomarker for the consumption of these food products.

CAS号

异构

OC1C(COC(=O)C=CC2=CC(O)=C(O)C=C2)OC(OC2=CC3=C(C=C(O)C=C3[O-])[O+]=C2C2=CC=C(O)C=C2)C(O)C1O

InChI标识符

InChI=1S/C30H26O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)

键

OUWGZZOPFVOIFO-UHFFFAOYSA-N

平均分子量

594.137340897

id

31251

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone