PCIDB

KNApSAcK Metabolite C00050281

Metabolite

KNApSAcK Entry

id C00050281
Name Brodiosaponin E / (-)-Brodiosaponin E
CAS RN 190781-43-2
Standard InChI InChI=1S/C50H80O24/c1-16-14-66-50(43(64)40(16)71-45-38(62)35(59)31(55)18(3)67-45)17(2)30-26(74-50)11-23-22-8-7-20-9-21(52)10-29(48(20,5)24(22)12-28(54)49(23,30)6)70-47-42(73-46-39(63)36(60)32(56)19(4)68-46)41(34(58)27(13-51)69-47)72-44-37(61)33(57)25(53)15-65-44/h7,16-19,21-47,51-64H,8-15H2,1-6H3/t16-,17+,18-,19+,21-,22+,23+,24+,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+/m1/s1
Standard InChI (Main Layer) InChI=1S/C50H80O24/c1-16-14-66-50(43(64)40(16)71-45-38(62)35(59)31(55)18(3)67-45)17(2)30-26(74-50)11-23-22-8-7-20-9-21(52)10-29(48(20,5)24(22)12-28(54)49(23,30)6)70-47-42(73-46-39(63)36(60)32(56)19(4)68-46)41(34(58)27(13-51)69-47)72-44-37(61)33(57)25(53)15-65-44/h7,16-19,21-47,51-64H,8-15H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Asparagaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Brodiaea californica 244021 Asparagaceae Liliopsida Viridiplantae