PCIDB

KNApSAcK Metabolite C00028899

Metabolite

KNApSAcK Entry

id C00028899
Name Repanduline
CAS RN 20398-02-1
Standard InChI InChI=1S/C37H36N2O7/c1-38-10-8-23-16-29-30-18-26(23)27(38)12-21-4-6-25(7-5-21)45-32-15-22(14-31-35(32)44-20-43-31)13-28-34-24(9-11-39(28)2)17-33(41-3)36(40)37(34,46-30)19-42-29/h4-7,14-18,27-28H,8-13,19-20H2,1-3H3/t27-,28+,37+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H36N2O7/c1-38-10-8-23-16-29-30-18-26(23)27(38)12-21-4-6-25(7-5-21)45-32-15-22(14-31-35(32)44-20-43-31)13-28-34-24(9-11-39(28)2)17-33(41-3)36(40)37(34,46-30)19-42-29/h4-7,14-18,27-28H,8-13,19-20H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4726

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2063767

KEGG

By LinkDB

CTD

By CAS RN