PCIDB

KNApSAcK Metabolite C00014829

Metabolite

KNApSAcK Entry

id C00014829
Name Malvidin 3-O-(6-O-(4-O-feruloyl-alpha-rhamnopyranosyl)-beta-glucopyranoside)-5-beta-glucopyranoside
CAS RN 303115-58-4
Standard InChI InChI=1S/C45H52O24/c1-17-41(69-31(49)8-6-18-5-7-22(48)25(9-18)59-2)37(55)40(58)43(63-17)62-16-30-34(52)36(54)39(57)45(68-30)66-28-14-21-23(64-42(28)19-10-26(60-3)32(50)27(11-19)61-4)12-20(47)13-24(21)65-44-38(56)35(53)33(51)29(15-46)67-44/h5-14,17,29-30,33-41,43-46,51-58H,15-16H2,1-4H3,(H2-,47,48,49,50)/p+1/t17?,29?,30-,33-,34-,35+,36?,37?,38?,39?,40+,41+,43-,44-,45-/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H52O24/c1-17-41(69-31(49)8-6-18-5-7-22(48)25(9-18)59-2)37(55)40(58)43(63-17)62-16-30-34(52)36(54)39(57)45(68-30)66-28-14-21-23(64-42(28)19-10-26(60-3)32(50)27(11-19)61-4)12-20(47)13-24(21)65-44-38(56)35(53)33(51)29(15-46)67-44/h5-14,17,29-30,33-41,43-46,51-58H,15-16H2,1-4H3,(H2-,47,48,49,50)

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
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Solanum tuberosum 4113 Solanaceae asterids Viridiplantae