PCIDB

KNApSAcK Metabolite C00011251

Metabolite

KNApSAcK Entry

id C00011251
Name Roquefortine / Roquefortine C
CAS RN 58735-64-1
Standard InChI InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-
Standard InChI (Main Layer) InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)

Cluster

Phytochemical cluster
KCF-S cluster No. 3011

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL517788

KEGG

By LinkDB

CTD

By CAS RN C012536