PCIDB

KNApSAcK Metabolite C00001558

Metabolite

KNApSAcK Entry

id C00001558
Name 3-Acetylnerbowdine
CAS RN 100196-22-3
Standard InChI InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 830

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08514

CTD

By CAS RN