PCIDB

KNApSAcK Metabolite C00043007

Metabolite

KNApSAcK Entry

id C00043007
Name Smilaside E / (+)-Smilaside E
CAS RN 870296-12-1
Standard InChI InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)15-8-24-4-11-27(45)12-5-24)41(61-36(50)17-10-26-7-14-29(47)31(19-26)56-3)38(52)33(62-43)21-58-34(48)16-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)15-8-24-4-11-27(45)12-5-24)41(61-36(50)17-10-26-7-14-29(47)31(19-26)56-3)38(52)33(62-43)21-58-34(48)16-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 334

Link

ChEMBL

By standard InChI CHEMBL507530
By standard InChI Main Layer CHEMBL507530

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Smilacaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Smilax china 49657 Smilacaceae Liliopsida Viridiplantae