PCIDB

KNApSAcK Metabolite C00025701

Metabolite

KNApSAcK Entry

id C00025701
Name 1,2-Dehydroapateline / (+)-1,2-Dehydroapateline / 1',2'-Didehydroapateline
CAS RN 68711-77-3
Standard InChI InChI=1S/C34H30N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,26,37H,9-14H2,1-2H3/t26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H30N2O5/c1-36-12-10-22-17-31(38-2)33-34-32(22)26(36)14-19-3-6-23(7-4-19)39-28-15-20(5-8-27(28)37)13-25-24-18-30(41-34)29(40-33)16-21(24)9-11-35-25/h3-8,15-18,26,37H,9-14H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 10

Link

ChEMBL

By standard InChI CHEMBL390616
By standard InChI Main Layer CHEMBL390616

KEGG

By LinkDB

CTD

By CAS RN