PCIDB

KNApSAcK Metabolite C00001787

Metabolite

KNApSAcK Entry

id C00001787
Name Vobtusine
CAS RN 19772-79-3
Standard InChI InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25?,31-,35-,36-,37-,38-,39+,40-,41-,42+,43+/m0/s1
Standard InChI (Main Layer) InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1495

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09254

CTD

By CAS RN