PCIDB

KNApSAcK Metabolite C00034208

Metabolite

KNApSAcK Entry

id C00034208
Name Sandrosaponin IX / (+)-Sandrosaponin IX
CAS RN 303953-07-3
Standard InChI InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-45-39(67)34(62)31(59)25(20-56)72-45)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(37(65)36(64)40(75-47)43(68)69)77-46-41(35(63)32(60)26(21-57)73-46)76-44-38(66)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,44?,45-,46-,47+,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-45-39(67)34(62)31(59)25(20-56)72-45)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(37(65)36(64)40(75-47)43(68)69)77-46-41(35(63)32(60)26(21-57)73-46)76-44-38(66)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)

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
asterids 2

Family

family name count
Apiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rigidum 199748 Apiaceae asterids Viridiplantae
Ferula elaeochytris 662809 Apiaceae asterids Viridiplantae