PCIDB

KNApSAcK Metabolite C00041779

Metabolite

KNApSAcK Entry

id C00041779
Name Polygalasaponin III
CAS RN 162857-63-8
Standard InChI InChI=1S/C53H86O23/c1-23-31(59)34(62)36(64)42(70-23)74-39-38(73-45-40(66)53(68,21-57)22-69-45)33(61)28(19-55)72-44(39)76-46(67)52-14-12-47(2,3)16-25(52)24-8-9-30-48(4)17-26(58)41(75-43-37(65)35(63)32(60)27(18-54)71-43)49(5,20-56)29(48)10-11-51(30,7)50(24,6)13-15-52/h8,23,25-45,54-66,68H,9-22H2,1-7H3
Standard InChI (Main Layer) InChI=1S/C53H86O23/c1-23-31(59)34(62)36(64)42(70-23)74-39-38(73-45-40(66)53(68,21-57)22-69-45)33(61)28(19-55)72-44(39)76-46(67)52-14-12-47(2,3)16-25(52)24-8-9-30-48(4)17-26(58)41(75-43-37(65)35(63)32(60)27(18-54)71-43)49(5,20-56)29(48)10-11-51(30,7)50(24,6)13-15-52/h8,23,25-45,54-66,68H,9-22H2,1-7H3

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