PCIDB

KNApSAcK Metabolite C00002000

Metabolite

KNApSAcK Entry

id C00002000
Name Integerrenine / (-)-Integerrenine
CAS RN 18067-39-5
Standard InChI InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28?/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)

Cluster

Phytochemical cluster
KCF-S cluster No. 134

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10005

CTD

By CAS RN