PCIDB

KNApSAcK Metabolite C00001791

Metabolite

KNApSAcK Entry

id C00001791
Name Adiantifoline
CAS RN 20823-96-5
Standard InChI InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2002665

KEGG

By LinkDB C09323

CTD

By CAS RN C087813