PCIDB

KNApSAcK Metabolite C00041780

Metabolite

KNApSAcK Entry

id C00041780
Name Polygalasaponin J / (+)-Polygalasaponin J
CAS RN 882664-80-4
Standard InChI InChI=1S/C59H96O28/c1-23-45(84-48-41(73)36(68)30(21-78-48)83-50-42(74)37(69)33(65)27(18-60)80-50)40(72)44(76)49(79-23)85-46-39(71)35(67)29(20-62)82-52(46)87-53(77)59-14-12-54(2,3)16-25(59)24-8-9-32-55(4)17-26(64)47(86-51-43(75)38(70)34(66)28(19-61)81-51)56(5,22-63)31(55)10-11-58(32,7)57(24,6)13-15-59/h8,23,25-52,60-76H,9-22H2,1-7H3/t23-,25-,26-,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/C59H96O28/c1-23-45(84-48-41(73)36(68)30(21-78-48)83-50-42(74)37(69)33(65)27(18-60)80-50)40(72)44(76)49(79-23)85-46-39(71)35(67)29(20-62)82-52(46)87-53(77)59-14-12-54(2,3)16-25(59)24-8-9-32-55(4)17-26(64)47(86-51-43(75)38(70)34(66)28(19-61)81-51)56(5,22-63)31(55)10-11-58(32,7)57(24,6)13-15-59/h8,23,25-52,60-76H,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