PCIDB

KNApSAcK Metabolite C00006869

Metabolite

KNApSAcK Entry

id C00006869
Name Peonidin 3-p-coumarylsophoroside-5-glucoside
CAS RN 38718-99-9
Standard InChI InChI=1S/C43H48O23/c1-58-25-10-18(5-8-22(25)48)39-26(13-21-23(60-39)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41)62-43-40(66-42-38(57)35(54)32(51)28(15-45)64-42)36(55)33(52)29(65-43)16-59-30(49)9-4-17-2-6-19(46)7-3-17/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1/t27?,28?,29?,31-,32-,33-,34+,35?,36?,37?,38-,40?,41-,42+,43-/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H48O23/c1-58-25-10-18(5-8-22(25)48)39-26(13-21-23(60-39)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41)62-43-40(66-42-38(57)35(54)32(51)28(15-45)64-42)36(55)33(52)29(65-43)16-59-30(49)9-4-17-2-6-19(46)7-3-17/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(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
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea congesta 4119 Convolvulaceae asterids Viridiplantae