PCIDB

KNApSAcK Metabolite C00044107

Metabolite

KNApSAcK Entry

id C00044107
Name Berneuxia saponin A / (-)-Berneuxia saponin A
CAS RN 214350-98-8
Standard InChI InChI=1S/C59H94O26/c1-11-23(2)49(76)85-47-46(73)59(22-62)26(18-54(47,4)5)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)63)80-53-45(84-51-39(70)37(68)34(65)27(20-60)78-51)43(40(71)44(83-53)48(74)75)82-52-41(72)42(35(66)28(21-61)79-52)81-50-38(69)36(67)33(64)24(3)77-50/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)85-47-46(73)59(22-62)26(18-54(47,4)5)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)63)80-53-45(84-51-39(70)37(68)34(65)27(20-60)78-51)43(40(71)44(83-53)48(74)75)82-52-41(72)42(35(66)28(21-61)79-52)81-50-38(69)36(67)33(64)24(3)77-50/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