PCIDB

KNApSAcK Metabolite C00028257

Metabolite

KNApSAcK Entry

id C00028257
Name Espinine
CAS RN 26137-40-6
Standard InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)35(43-4)21-28(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-27-20-33(41)34(42-3)19-25(27)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)35(43-4)21-28(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-27-20-33(41)34(42-3)19-25(27)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 89

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN