PCIDB

KNApSAcK Metabolite C00007656

Metabolite

KNApSAcK Entry

id C00007656
Name Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) glucoside] 5-O-glucoside
CAS RN
Standard InChI InChI=1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)52)3-6-30(50)66-39-31(51)22(49)15-60-42(39)67-40-36(56)34(54)29(14-45)65-43(40)63-27-12-19-23(61-38(27)17-4-5-20(47)21(48)9-17)10-18(46)11-24(19)62-41-37(57)35(55)33(53)28(13-44)64-41/h3-12,22,28-29,31,33-37,39-45,49,51,53-57H,13-15H2,1-2H3,(H3-,46,47,48,50,52)/p+1/t22-,28?,29?,31-,33-,34-,35?,36?,37+,39?,40+,41-,42+,43-/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)52)3-6-30(50)66-39-31(51)22(49)15-60-42(39)67-40-36(56)34(54)29(14-45)65-43(40)63-27-12-19-23(61-38(27)17-4-5-20(47)21(48)9-17)10-18(46)11-24(19)62-41-37(57)35(55)33(53)28(13-44)64-41/h3-12,22,28-29,31,33-37,39-45,49,51,53-57H,13-15H2,1-2H3,(H3-,46,47,48,50,52)

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

Family

family name count
Brassicaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae