PCIDB

KNApSAcK Metabolite C00001617

Metabolite

KNApSAcK Entry

id C00001617
Name Avadharidine
CAS RN 509-16-0
Standard InChI InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)/t20-,21-,23+,24+,27-,28+,29-,30-,32?,33?,34-,35+,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H51N3O10/c1-6-39-17-33(18-49-31(42)19-9-7-8-10-22(19)38-26(41)12-11-25(37)40)14-13-24(46-3)35-21-15-20-23(45-2)16-34(43,27(21)28(20)47-4)36(44,32(35)39)30(48-5)29(33)35/h7-10,20-21,23-24,27-30,32,43-44H,6,11-18H2,1-5H3,(H2,37,40)(H,38,41)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL448609

KEGG

By LinkDB C08661

CTD

By CAS RN