PCIDB

KNApSAcK Metabolite C00036774

Metabolite

KNApSAcK Entry

id C00036774
Name Astrantiasaponin / (-)-Astrantiasaponin
CAS RN 132368-17-3
Standard InChI InChI=1S/C59H96O26/c1-24-34(63)39(68)44(73)49(78-24)83-46-36(65)28(62)21-76-51(46)82-33-12-13-55(5)31(56(33,6)23-61)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,18-16-57(26,58)7)53(75)85-52-47(84-50-45(74)40(69)35(64)25(2)79-50)42(71)38(67)30(81-52)22-77-48-43(72)41(70)37(66)29(20-60)80-48/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,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-,55-,56-,57+,58+,59-/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O26/c1-24-34(63)39(68)44(73)49(78-24)83-46-36(65)28(62)21-76-51(46)82-33-12-13-55(5)31(56(33,6)23-61)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,18-16-57(26,58)7)53(75)85-52-47(84-50-45(74)40(69)35(64)25(2)79-50)42(71)38(67)30(81-52)22-77-48-43(72)41(70)37(66)29(20-60)80-48/h9,24-25,27-52,60-74H,10-23H2,1-8H3

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
rosids 1

Family

family name count
Sapindaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Elattostachys apetala 556960 Sapindaceae rosids Viridiplantae