PCIDB

KNApSAcK Metabolite C00001928

Metabolite

KNApSAcK Entry

id C00001928
Name Xylopine / (-)-Xylopine
CAS RN 517-71-5
Standard InChI InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL452201
By standard InChI Main Layer CHEMBL227689 CHEMBL452201

KEGG

By LinkDB C09670

CTD

By CAS RN C062700