PCIDB

KNApSAcK Metabolite C00033904

Metabolite

KNApSAcK Entry

id C00033904
Name Hellebosaponin B
CAS RN 606142-80-7
Standard InChI InChI=1S/C64H98O34/c1-22-16-87-64(53(80)47(22)93-56-45(78)42(75)48(23(2)88-56)94-57-44(77)41(74)40(73)36(15-65)91-57)32(17-83-25(4)67)38-35(98-64)14-31-29-9-8-27-12-28(69)13-37(62(27,7)30(29)10-11-61(31,38)6)92-59-52(50(34(71)19-85-59)95-55-43(76)39(72)33(70)18-84-55)97-58-46(79)51(49(24(3)89-58)90-26(5)68)96-60-54(81)63(82,20-66)21-86-60/h8,23-24,28-60,65-66,69-82H,1,9-21H2,2-7H3/t23-,24+,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+,59+,60+,61+,62+,63-,64+/m1/s1
Standard InChI (Main Layer) InChI=1S/C64H98O34/c1-22-16-87-64(53(80)47(22)93-56-45(78)42(75)48(23(2)88-56)94-57-44(77)41(74)40(73)36(15-65)91-57)32(17-83-25(4)67)38-35(98-64)14-31-29-9-8-27-12-28(69)13-37(62(27,7)30(29)10-11-61(31,38)6)92-59-52(50(34(71)19-85-59)95-55-43(76)39(72)33(70)18-84-55)97-58-46(79)51(49(24(3)89-58)90-26(5)68)96-60-54(81)63(82,20-66)21-86-60/h8,23-24,28-60,65-66,69-82H,1,9-21H2,2-7H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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