PCIDB

KNApSAcK Metabolite C00028217

Metabolite

KNApSAcK Entry

id C00028217
Name Domesticine / (+)-Domesticine
CAS RN 476-71-1
Standard InChI InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 20

Link

ChEMBL

By standard InChI CHEMBL1808240
By standard InChI Main Layer CHEMBL1808240

KEGG

By LinkDB C19980

CTD

By CAS RN