PCIDB

KNApSAcK Metabolite C00026071

Metabolite

KNApSAcK Entry

id C00026071
Name Trigilletimine
CAS RN 52038-21-8
Standard InChI InChI=1S/C35H30N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-10,12,16-19,27H,11,13-15H2,1-3H3/t27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H30N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-10,12,16-19,27H,11,13-15H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN