PCIDB

KNApSAcK Metabolite C00044108

Metabolite

KNApSAcK Entry

id C00044108
Name Berneuxia saponin B / (-)-Berneuxia saponin B
CAS RN 214359-08-7
Standard InChI InChI=1S/C59H94O26/c1-11-23(2)49(76)77-22-59-26(18-54(4,5)46(72)47(59)73)25-12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,9)58(25,10)19-31(59)62)81-53-45(85-51-39(69)37(67)34(64)27(20-60)79-51)43(40(70)44(84-53)48(74)75)83-52-41(71)42(35(65)28(21-61)80-52)82-50-38(68)36(66)33(63)24(3)78-50/h11-12,24,26-47,50-53,60-73H,13-22H2,1-10H3,(H,74,75)/b23-11+/t24-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37?,38+,39+,40-,41+,42-,43-,44-,45+,46?,47-,50-,51-,52-,53+,56-,57+,58+,59-/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H94O26/c1-11-23(2)49(76)77-22-59-26(18-54(4,5)46(72)47(59)73)25-12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,9)58(25,10)19-31(59)62)81-53-45(85-51-39(69)37(67)34(64)27(20-60)79-51)43(40(70)44(84-53)48(74)75)83-52-41(71)42(35(65)28(21-61)80-52)82-50-38(68)36(66)33(63)24(3)78-50/h11-12,24,26-47,50-53,60-73H,13-22H2,1-10H3,(H,74,75)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Diapensiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Berneuxia thibetica 171445 Diapensiaceae asterids Viridiplantae