PCIDB

KNApSAcK Metabolite C00024609

Metabolite

KNApSAcK Entry

id C00024609
Name Vallesine / N-Deacetyl-N-formylaspidospermine
CAS RN 466-46-6
Standard InChI InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25-2)18(15)23(14-24)17(21)8-10-20/h4,6-7,14,17,19H,3,5,8-13H2,1-2H3/t17-,19-,20-,21-/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H28N2O2/c1-3-20-9-5-12-22-13-11-21(19(20)22)15-6-4-7-16(25-2)18(15)23(14-24)17(21)8-10-20/h4,6-7,14,17,19H,3,5,8-13H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 430

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN