PCIDB

KNApSAcK Metabolite C00006787

Metabolite

KNApSAcK Entry

id C00006787
Name Pelargonidin 3-(6''-caffeylsophoroside)-5-glucoside / Pelargonidin 3-O-(6-O-(trans-caffeyl)-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside)-5-O-(beta-D-glucopyranoside)
CAS RN 140614-88-6
Standard InChI InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-3-5-18(45)6-4-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-2-16-1-7-21(47)22(48)9-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)/p+1/t26?,27?,28?,30-,31-,32-,33+,34+,35?,36?,37?,39-,40-,41+,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H46O23/c43-13-26-30(50)33(53)36(56)40(62-26)60-24-11-19(46)10-23-20(24)12-25(38(59-23)17-3-5-18(45)6-4-17)61-42-39(65-41-37(57)34(54)31(51)27(14-44)63-41)35(55)32(52)28(64-42)15-58-29(49)8-2-16-1-7-21(47)22(48)9-16/h1-12,26-28,30-37,39-44,50-57H,13-15H2,(H3-,45,46,47,48,49)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Brassicaceae 1
Convolvulaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea nil 35883 Convolvulaceae asterids Viridiplantae
Raphanus sativus 3726 Brassicaceae rosids Viridiplantae