PCIDB

KNApSAcK Metabolite C00006837

Metabolite

KNApSAcK Entry

id C00006837
Name Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-glucoside
CAS RN 163812-24-6
Standard InChI InChI=1S/C53H56O27/c1-69-33-12-22(4-8-28(33)57)5-10-39(60)72-21-38-44(65)46(67)50(80-52-49(41(62)30(59)20-73-52)79-40(61)11-6-23-13-34(70-2)42(63)35(14-23)71-3)53(78-38)76-36-18-26-31(74-48(36)24-7-9-27(56)29(58)15-24)16-25(55)17-32(26)75-51-47(68)45(66)43(64)37(19-54)77-51/h4-18,30,37-38,41,43-47,49-54,59,62,64-68H,19-21H2,1-3H3,(H4-,55,56,57,58,60,61,63)/p+1/t30-,37?,38?,41+,43-,44-,45+,46?,47?,49?,50-,51-,52+,53-/m1/s1
Standard InChI (Main Layer) InChI=1S/C53H56O27/c1-69-33-12-22(4-8-28(33)57)5-10-39(60)72-21-38-44(65)46(67)50(80-52-49(41(62)30(59)20-73-52)79-40(61)11-6-23-13-34(70-2)42(63)35(14-23)71-3)53(78-38)76-36-18-26-31(74-48(36)24-7-9-27(56)29(58)15-24)16-25(55)17-32(26)75-51-47(68)45(66)43(64)37(19-54)77-51/h4-18,30,37-38,41,43-47,49-54,59,62,64-68H,19-21H2,1-3H3,(H4-,55,56,57,58,60,61,63)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

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
Matthiola incana 3724 Brassicaceae rosids Viridiplantae