PCIDB

KNApSAcK Metabolite C00006812

Metabolite

KNApSAcK Entry

id C00006812
Name Cyanidin 3-(4'''-caffeylrutinoside)
CAS RN 68156-54-7
Standard InChI InChI=1S/C36H36O18/c1-14-33(54-27(43)7-3-15-2-5-19(38)22(41)8-15)30(46)32(48)35(50-14)49-13-26-28(44)29(45)31(47)36(53-26)52-25-12-18-21(40)10-17(37)11-24(18)51-34(25)16-4-6-20(39)23(42)9-16/h2-12,14,26,28-33,35-36,44-48H,13H2,1H3,(H5-,37,38,39,40,41,42,43)/p+1/t14?,26?,28-,29?,30-,31?,32?,33+,35-,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H36O18/c1-14-33(54-27(43)7-3-15-2-5-19(38)22(41)8-15)30(46)32(48)35(50-14)49-13-26-28(44)29(45)31(47)36(53-26)52-25-12-18-21(40)10-17(37)11-24(18)51-34(25)16-4-6-20(39)23(42)9-16/h2-12,14,26,28-33,35-36,44-48H,13H2,1H3,(H5-,37,38,39,40,41,42,43)

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
eudicotyledons 1

Family

family name count
Caryophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Silene dioica 39879 Caryophyllaceae eudicotyledons Viridiplantae