PCIDB

KNApSAcK Metabolite C00035462

Metabolite

KNApSAcK Entry

id C00035462
Name 14-Deacetyl-14-isobutyrylnudicauline
CAS RN 254876-71-6
Standard InChI InChI=1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3/t21-,23+,24+,26-,27-,29+,30-,31+,32-,36?,37-,38+,39?,40+/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 166

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN