PCIDB

KNApSAcK Metabolite C00041783

Metabolite

KNApSAcK Entry

id C00041783
Name Polygalasaponin XXI
CAS RN 173933-36-3
Standard InChI InChI=1S/C53H84O24/c1-21-39(74-42-36(64)30(58)25(57)20-70-42)35(63)38(66)43(71-21)75-40-34(62)32(60)27(19-55)73-45(40)77-47(69)53-14-12-48(2,3)16-23(53)22-8-9-28-49(4)17-24(56)41(76-44-37(65)33(61)31(59)26(18-54)72-44)52(7,46(67)68)29(49)10-11-51(28,6)50(22,5)13-15-53/h8,21,23-45,54-66H,9-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,49+,50+,51+,52-,53-/m0/s1
Standard InChI (Main Layer) InChI=1S/C53H84O24/c1-21-39(74-42-36(64)30(58)25(57)20-70-42)35(63)38(66)43(71-21)75-40-34(62)32(60)27(19-55)73-45(40)77-47(69)53-14-12-48(2,3)16-23(53)22-8-9-28-49(4)17-24(56)41(76-44-37(65)33(61)31(59)26(18-54)72-44)52(7,46(67)68)29(49)10-11-51(28,6)50(22,5)13-15-53/h8,21,23-45,54-66H,9-20H2,1-7H3,(H,67,68)

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
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala japonica 690795 Polygalaceae rosids Viridiplantae