PCIDB

KNApSAcK Metabolite C00030203

Metabolite

KNApSAcK Entry

id C00030203
Name Erucasaponin A
CAS RN 949569-39-5
Standard InChI InChI=1S/C54H86O21/c1-21(2)25-13-18-54(49(67)75-47-39(63)36(60)33(57)24(5)70-47)20-19-52(9)26(30(25)54)11-12-28-51(8)16-15-29(50(6,7)27(51)14-17-53(28,52)10)71-48-43(74-46-38(62)35(59)32(56)23(4)69-46)41(40(64)42(73-48)44(65)66)72-45-37(61)34(58)31(55)22(3)68-45/h22-43,45-48,55-64H,1,11-20H2,2-10H3,(H,65,66)/t22-,23-,24-,25-,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43+,45-,46-,47-,48+,51-,52+,53+,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H86O21/c1-21(2)25-13-18-54(49(67)75-47-39(63)36(60)33(57)24(5)70-47)20-19-52(9)26(30(25)54)11-12-28-51(8)16-15-29(50(6,7)27(51)14-17-53(28,52)10)71-48-43(74-46-38(62)35(59)32(56)23(4)69-46)41(40(64)42(73-48)44(65)66)72-45-37(61)34(58)31(55)22(3)68-45/h22-43,45-48,55-64H,1,11-20H2,2-10H3,(H,65,66)

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
eudicotyledons 1

Family

family name count
Cactaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Stenocereus eruca A.C.Gibson & K.E.Horak 171972 Cactaceae eudicotyledons Viridiplantae