PCIDB

KNApSAcK Metabolite C00034261

Metabolite

KNApSAcK Entry

id C00034261
Name Smilaside I / (+)-Smilaside I
CAS RN 1023755-01-2
Standard InChI InChI=1S/C42H44O19/c1-23(43)55-20-31-36(50)37(51)38(52)41(58-31)61-42(22-57-34(48)16-8-24-3-11-27(44)12-4-24)40(53)39(59-35(49)18-9-25-5-13-28(45)14-6-25)32(60-42)21-56-33(47)17-10-26-7-15-29(46)30(19-26)54-2/h3-19,31-32,36-41,44-46,50-53H,20-22H2,1-2H3/b16-8+,17-10+,18-9+/t31-,32-,36-,37+,38-,39-,40+,41-,42+/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H44O19/c1-23(43)55-20-31-36(50)37(51)38(52)41(58-31)61-42(22-57-34(48)16-8-24-3-11-27(44)12-4-24)40(53)39(59-35(49)18-9-25-5-13-28(45)14-6-25)32(60-42)21-56-33(47)17-10-26-7-15-29(46)30(19-26)54-2/h3-19,31-32,36-41,44-46,50-53H,20-22H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 334

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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 bracteata 1045134 Smilacaceae Liliopsida Viridiplantae