PCIDB

KNApSAcK Metabolite C00027820

Metabolite

KNApSAcK Entry

id C00027820
Name Aglain A / (+)-Aglain A
CAS RN 177262-31-6
Standard InChI InChI=1S/C38H44N2O9/c1-7-22(2)34(42)39-30-14-11-19-40(30)35(43)33-31(24-12-9-8-10-13-24)38(25-15-17-26(45-4)18-16-25)36(48-23(3)41)37(33,44)32-28(47-6)20-27(46-5)21-29(32)49-38/h8-10,12-13,15-18,20-22,30-31,33,36,44H,7,11,14,19H2,1-6H3,(H,39,42)/t22-,30-,31-,33+,36?,37+,38+/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H44N2O9/c1-7-22(2)34(42)39-30-14-11-19-40(30)35(43)33-31(24-12-9-8-10-13-24)38(25-15-17-26(45-4)18-16-25)36(48-23(3)41)37(33,44)32-28(47-6)20-27(46-5)21-29(32)49-38/h8-10,12-13,15-18,20-22,30-31,33,36,44H,7,11,14,19H2,1-6H3,(H,39,42)

Cluster

Phytochemical cluster
KCF-S cluster No. 576

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL390233

KEGG

By LinkDB

CTD

By CAS RN