PCIDB

KNApSAcK Metabolite C00024322

Metabolite

KNApSAcK Entry

id C00024322
Name Vomilenine / Z-Vomilenine
CAS RN 6880-50-8
Standard InChI InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,19+,20?,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 523

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C01761

CTD

By CAS RN