PCIDB

KNApSAcK Metabolite C00001580

Metabolite

KNApSAcK Entry

id C00001580
Name Pretazettine
CAS RN 17322-84-8
Standard InChI InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18?/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 103

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL606758 CHEMBL2010422

KEGG

By LinkDB C08536

CTD

By CAS RN C010766