PCIDB

KNApSAcK Metabolite C00027307

Metabolite

KNApSAcK Entry

id C00027307
Name Calycinine / (-)-Calycinine
CAS RN 70420-58-5
Standard InChI InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3/t12-/m1/s1
Standard InChI (Main Layer) InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL226824

KEGG

By LinkDB

CTD

By CAS RN