PCIDB

KNApSAcK Metabolite C00033903

Metabolite

KNApSAcK Entry

id C00033903
Name Hellebosaponin A / (-)-Hellebosaponin A
CAS RN 606142-79-4
Standard InChI InChI=1S/C58H88O29/c1-21-15-78-58(48(71)43(21)83-51-41(69)39(67)37(65)22(2)79-51)31(16-74-24(4)60)36-34(87-58)14-30-28-9-8-26-12-27(62)13-35(56(26,7)29(28)10-11-55(30,36)6)82-53-47(45(33(64)18-76-53)84-50-40(68)38(66)32(63)17-75-50)86-52-42(70)46(44(23(3)80-52)81-25(5)61)85-54-49(72)57(73,19-59)20-77-54/h8,22-23,27-54,59,62-73H,1,9-20H2,2-7H3/t22-,23+,27-,28-,29+,30+,31+,32-,33+,34+,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58+/m1/s1
Standard InChI (Main Layer) InChI=1S/C58H88O29/c1-21-15-78-58(48(71)43(21)83-51-41(69)39(67)37(65)22(2)79-51)31(16-74-24(4)60)36-34(87-58)14-30-28-9-8-26-12-27(62)13-35(56(26,7)29(28)10-11-55(30,36)6)82-53-47(45(33(64)18-76-53)84-50-40(68)38(66)32(63)17-75-50)86-52-42(70)46(44(23(3)80-52)81-25(5)61)85-54-49(72)57(73,19-59)20-77-54/h8,22-23,27-54,59,62-73H,1,9-20H2,2-7H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL504992

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Helleborus caucasicus 46995 Ranunculaceae eudicotyledons Viridiplantae