PCIDB

KNApSAcK Metabolite C00040484

Metabolite

KNApSAcK Entry

id C00040484
Name Theopederin J / (+)-Theopederin J
CAS RN 252733-64-5
Standard InChI InChI=1S/C32H51NO11/c1-19-17-32(39,44-21(3)20(19)2)27(37)29(38)33-30-26-25(41-18-42-30)28(40-6)31(4,5)23(43-26)16-22(34)14-12-10-8-7-9-11-13-15-24(35)36/h9,11,13,15,20-23,25-28,30,34,37,39H,1,7-8,10,12,14,16-18H2,2-6H3,(H,33,38)(H,35,36)/b11-9+,15-13+/t20-,21-,22-,23-,25+,26+,27-,28-,30+,32-/m1/s1
Standard InChI (Main Layer) InChI=1S/C32H51NO11/c1-19-17-32(39,44-21(3)20(19)2)27(37)29(38)33-30-26-25(41-18-42-30)28(40-6)31(4,5)23(43-26)16-22(34)14-12-10-8-7-9-11-13-15-24(35)36/h9,11,13,15,20-23,25-28,30,34,37,39H,1,7-8,10,12,14,16-18H2,2-6H3,(H,33,38)(H,35,36)

Cluster

Phytochemical cluster
KCF-S cluster No. 1182

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Theonellidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Theonella swinhoei 37505 Theonellidae Metazoa