PCIDB

KNApSAcK Metabolite C00011299

Metabolite

KNApSAcK Entry

id C00011299
Name TR 1 toxin / Verruculogen / Verruculogen TR 1
CAS RN 12771-72-1
Standard InChI InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3951

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL463268

KEGG

By LinkDB C20045

CTD

By CAS RN C009658