PCIDB

KNApSAcK Metabolite C00046777

Metabolite

KNApSAcK Entry

id C00046777
Name Inermoside / (-)-Inermoside
CAS RN 315228-96-7
Standard InChI InChI=1S/C49H78O19/c1-21(2)24-10-15-49(17-16-47(7)26(31(24)49)18-27(51)41-46(6,13-12-30(52)62-9)25(22(3)4)11-14-48(41,47)8)45(61)68-44-38(59)35(56)33(54)29(66-44)20-63-42-39(60)36(57)40(28(19-50)65-42)67-43-37(58)34(55)32(53)23(5)64-43/h23-29,31-44,50-51,53-60H,1,3,10-20H2,2,4-9H3/t23-,24-,25-,26+,27+,28+,29+,31+,32-,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43-,44-,46-,47+,48+,49-/m0/s1
Standard InChI (Main Layer) InChI=1S/C49H78O19/c1-21(2)24-10-15-49(17-16-47(7)26(31(24)49)18-27(51)41-46(6,13-12-30(52)62-9)25(22(3)4)11-14-48(41,47)8)45(61)68-44-38(59)35(56)33(54)29(66-44)20-63-42-39(60)36(57)40(28(19-50)65-42)67-43-37(58)34(55)32(53)23(5)64-43/h23-29,31-44,50-51,53-60H,1,3,10-20H2,2,4-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

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
Araliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acanthopanax senticosus forma inermis 4050 Araliaceae asterids Viridiplantae