PCIDB

KNApSAcK Metabolite C00037785

Metabolite

KNApSAcK Entry

id C00037785
Name Sandrosaponin III / (+)-Sandrosaponin III
CAS RN 308358-85-2
Standard InChI InChI=1S/C48H76O23S/c1-21-29(53)36(69-39-34(58)32(56)35(23(18-50)67-39)71-72(61,62)63)37(70-38-33(57)31(55)30(54)22(17-49)66-38)40(65-21)68-28-9-10-43(3)24(44(28,4)19-51)7-11-45(5)25(43)8-12-48-26-15-42(2,41(59)60)13-14-47(26,20-64-48)27(52)16-46(45,48)6/h8,12,21-40,49-58H,7,9-11,13-20H2,1-6H3,(H,59,60)(H,61,62,63)/t21-,22-,23-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,39+,40+,42-,43+,44+,45-,46+,47-,48+/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H76O23S/c1-21-29(53)36(69-39-34(58)32(56)35(23(18-50)67-39)71-72(61,62)63)37(70-38-33(57)31(55)30(54)22(17-49)66-38)40(65-21)68-28-9-10-43(3)24(44(28,4)19-51)7-11-45(5)25(43)8-12-48-26-15-42(2,41(59)60)13-14-47(26,20-64-48)27(52)16-46(45,48)6/h8,12,21-40,49-58H,7,9-11,13-20H2,1-6H3,(H,59,60)(H,61,62,63)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rigidum L. 199748 Apiaceae asterids Viridiplantae