PCIDB

KNApSAcK Metabolite C00006868

Metabolite

KNApSAcK Entry

id C00006868
Name Peonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside
CAS RN 154850-22-3
Standard InChI InChI=1S/C43H48O24/c1-59-24-9-17(4-6-20(24)47)40-26(12-19-22(61-40)10-18(46)11-23(19)62-41-37(56)34(53)31(50)27(13-44)65-41)64-43-39(58)36(55)33(52)29(67-43)15-60-30(49)7-3-16-2-5-21(48)25(8-16)63-42-38(57)35(54)32(51)28(14-45)66-42/h2-12,27-29,31-39,41-45,50-58H,13-15H2,1H3,(H2-,46,47,48,49)/p+1/t27?,28?,29?,31-,32-,33-,34+,35+,36?,37?,38?,39?,41-,42-,43-/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H48O24/c1-59-24-9-17(4-6-20(24)47)40-26(12-19-22(61-40)10-18(46)11-23(19)62-41-37(56)34(53)31(50)27(13-44)65-41)64-43-39(58)36(55)33(52)29(67-43)15-60-30(49)7-3-16-2-5-21(48)25(8-16)63-42-38(57)35(54)32(51)28(14-45)66-42/h2-12,27-29,31-39,41-45,50-58H,13-15H2,1H3,(H2-,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
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Ipomoea nil 35883 Convolvulaceae asterids Viridiplantae