PCIDB

KNApSAcK Metabolite C00003532

Metabolite

KNApSAcK Entry

id C00003532
Name Lemmatoxin
CAS RN 53043-29-1
Standard InChI InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24?,25?,26?,27-,28+,29-,30+,31+,32-,33-,34?,35?,36?,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1
Standard InChI (Main Layer) InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08958

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Phytolaccaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phytolacca dodecandra 29724 Phytolaccaceae eudicotyledons Viridiplantae