PCIDB

KNApSAcK Metabolite C00050214

Metabolite

KNApSAcK Entry

id C00050214
Name Sandrosaponin I / (+)-Sandrosaponin I
CAS RN 214263-43-1
Standard InChI InChI=1S/C48H78O21S/c1-22-30(53)37(67-40-35(58)33(56)36(24(19-50)65-40)69-70(59,60)61)38(68-39-34(57)32(55)31(54)23(18-49)64-39)41(63-22)66-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-62-48)28(52)17-46(45,48)7/h9,13,22-41,49-58H,8,10-12,14-21H2,1-7H3,(H,59,60,61)/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47-,48+/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H78O21S/c1-22-30(53)37(67-40-35(58)33(56)36(24(19-50)65-40)69-70(59,60)61)38(68-39-34(57)32(55)31(54)23(18-49)64-39)41(63-22)66-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-62-48)28(52)17-46(45,48)7/h9,13,22-41,49-58H,8,10-12,14-21H2,1-7H3,(H,59,60,61)

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 199748 Apiaceae asterids Viridiplantae