PCIDB

KNApSAcK Metabolite C00025149

Metabolite

KNApSAcK Entry

id C00025149
Name 3-Oxovoacangine / 19-Oxovoacangine
CAS RN 3306-59-0
Standard InChI InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3/t12-,13+,19-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H26N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19,23H,4,7-9,11H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 250

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN