PCIDB

KNApSAcK Metabolite C00006829

Metabolite

KNApSAcK Entry

id C00006829
Name Cyanidin 3-glucoside-3'-(6''-caffeylglucoside)
CAS RN 150070-20-5
Standard InChI InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-20(41)9-16(38)10-22(17)51-34(24)15-3-5-19(40)23(8-15)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)21(42)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25?,26-,28+,29+,30?,31?,32?,33?,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-20(41)9-16(38)10-22(17)51-34(24)15-3-5-19(40)23(8-15)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)21(42)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Senecio cruentus 98709 Asteraceae asterids Viridiplantae