PCIDB

KNApSAcK Metabolite C00000668

Metabolite

KNApSAcK Entry

id C00000668
Name Cannabisin E
CAS RN 163136-16-1
Standard InChI InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)/b16-8+/t34?,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H38N2O9/c1-45-31-22-26(9-14-29(31)41)34(43)35(36(44)38-20-18-24-5-12-28(40)13-6-24)47-30-15-7-25(21-32(30)46-2)8-16-33(42)37-19-17-23-3-10-27(39)11-4-23/h3-16,21-22,34-35,39-41,43H,17-20H2,1-2H3,(H,37,42)(H,38,44)

Cluster

Phytochemical cluster
KCF-S cluster No. 1241

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C17909

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Cannabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cannabis sativa 3483 Cannabaceae rosids Viridiplantae