PCIDB

KNApSAcK Metabolite C00033493

Metabolite

KNApSAcK Entry

id C00033493
Name Withanoside IX
CAS RN 500721-40-4
Standard InChI InChI=1S/C52H82O25/c1-19-11-28(73-46(68)24(19)16-69-47-44(66)40(62)36(58)31(76-47)17-70-48-42(64)38(60)34(56)29(14-53)74-48)20(2)25-7-8-26-23-6-5-21-12-22(13-33(55)52(21,4)27(23)9-10-51(25,26)3)72-50-45(67)41(63)37(59)32(77-50)18-71-49-43(65)39(61)35(57)30(15-54)75-49/h5,20,22-23,25-45,47-50,53-67H,6-18H2,1-4H3/t20-,22+,23-,25+,26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48+,49+,50+,51+,52-/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H82O25/c1-19-11-28(73-46(68)24(19)16-69-47-44(66)40(62)36(58)31(76-47)17-70-48-42(64)38(60)34(56)29(14-53)74-48)20(2)25-7-8-26-23-6-5-21-12-22(13-33(55)52(21,4)27(23)9-10-51(25,26)3)72-50-45(67)41(63)37(59)32(77-50)18-71-49-43(65)39(61)35(57)30(15-54)75-49/h5,20,22-23,25-45,47-50,53-67H,6-18H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 742

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
Withania somnifera 126910 Solanaceae asterids Viridiplantae