PCIDB

KNApSAcK Metabolite C00042612

Metabolite

KNApSAcK Entry

id C00042612
Name Ilekudinoside S / (-)-Ilekudinoside S
CAS RN 864234-35-5
Standard InChI InChI=1S/C42H66O14/c1-19-25(45)27(47)29(49)33(52-19)55-30-28(48)26(46)22(18-43)53-34(30)54-24-10-11-37(4)23(36(24,2)3)9-12-39(6)32(37)21(44)17-20-31-41(8,51)40(7)14-16-42(31,35(50)56-40)15-13-38(20,39)5/h19,21-30,32-34,43-49,51H,9-18H2,1-8H3/t19-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,32+,33-,34-,37-,38+,39+,40-,41-,42+/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H66O14/c1-19-25(45)27(47)29(49)33(52-19)55-30-28(48)26(46)22(18-43)53-34(30)54-24-10-11-37(4)23(36(24,2)3)9-12-39(6)32(37)21(44)17-20-31-41(8,51)40(7)14-16-42(31,35(50)56-40)15-13-38(20,39)5/h19,21-30,32-34,43-49,51H,9-18H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 373

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
Aquifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ilex kudingcha 1006183 Aquifoliaceae asterids Viridiplantae