PCIDB

KNApSAcK Metabolite C00037786

Metabolite

KNApSAcK Entry

id C00037786
Name Sandrosaponin IV / (+)-Sandrosaponin IV
CAS RN 308358-84-1
Standard InChI InChI=1S/C48H76O24S/c1-21-29(54)36(70-39-34(59)32(57)35(23(17-50)68-39)72-73(62,63)64)37(71-38-33(58)31(56)30(55)22(16-49)67-38)40(66-21)69-28-8-9-42(2)24(43(28,3)18-51)6-10-44(4)25(42)7-11-48-26-14-46(19-52,41(60)61)12-13-47(26,20-65-48)27(53)15-45(44,48)5/h7,11,21-40,49-59H,6,8-10,12-20H2,1-5H3,(H,60,61)(H,62,63,64)/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/C48H76O24S/c1-21-29(54)36(70-39-34(59)32(57)35(23(17-50)68-39)72-73(62,63)64)37(71-38-33(58)31(56)30(55)22(16-49)67-38)40(66-21)69-28-8-9-42(2)24(43(28,3)18-51)6-10-44(4)25(42)7-11-48-26-14-46(19-52,41(60)61)12-13-47(26,20-65-48)27(53)15-45(44,48)5/h7,11,21-40,49-59H,6,8-10,12-20H2,1-5H3,(H,60,61)(H,62,63,64)

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