PCIDB

KNApSAcK Metabolite C00039404

Metabolite

KNApSAcK Entry

id C00039404
Name Udosaponin F / Ilexoside XLIX
CAS RN 125481-27-8
Standard InChI InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-35(59)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,39-,40-,41+,44-,45-,46+,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H76O20/c1-43(2)13-15-48(42(62)68-40-35(59)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-37(33(57)32(56)36(66-41)38(60)61)67-39-34(58)30(54)28(52)23(18-49)63-39/h7,22-37,39-41,49-59H,8-20H2,1-6H3,(H,60,61)

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
Aquifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ilex rotunda 53211 Aquifoliaceae asterids Viridiplantae