PCIDB

KNApSAcK Metabolite C00006850

Metabolite

KNApSAcK Entry

id C00006850
Name Cyanidin 3-(6''-caffeyl-6'''-ferulylsophoroside)-5-glucoside
CAS RN 145815-06-1
Standard InChI InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)/p+1/t35?,36?,37?,40-,41-,42-,43+,44?,45?,46?,47-,49?,50-,51+,52-/m1/s1
Standard InChI (Main Layer) InChI=1S/C52H54O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(61)71-19-36-41(63)44(66)47(69)51(77-36)79-49-45(67)42(64)37(20-72-38(60)10-4-21-2-7-26(55)29(58)12-21)78-52(49)75-34-17-25-31(73-48(34)23-6-9-27(56)30(59)14-23)15-24(54)16-32(25)74-50-46(68)43(65)40(62)35(18-53)76-50/h2-17,35-37,40-47,49-53,62-69H,18-20H2,1H3,(H5-,54,55,56,57,58,59,60,61)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2335917

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1
rosids 1

Family

family name count
Convolvulaceae 1
Brassicaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea batatas 4120 Convolvulaceae asterids Viridiplantae
Raphanus sativus 3726 Brassicaceae rosids Viridiplantae