PCIDB

KNApSAcK Metabolite C00046989

Metabolite

KNApSAcK Entry

id C00046989
Name 1-O-Methylbractatin / (-)-1-O-Methylbractatin
CAS RN 267890-97-1
Standard InChI InChI=1S/C29H34O6/c1-9-26(4,5)22-18(30)14-19(33-8)21-23(31)17-12-16-13-20-27(6,7)35-28(25(16)32,11-10-15(2)3)29(17,20)34-24(21)22/h9-10,12,14,16,20,30H,1,11,13H2,2-8H3
Standard InChI (Main Layer) InChI=1S/C29H34O6/c1-9-26(4,5)22-18(30)14-19(33-8)21-23(31)17-12-16-13-20-27(6,7)35-28(25(16)32,11-10-15(2)3)29(17,20)34-24(21)22/h9-10,12,14,16,20,30H,1,11,13H2,2-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2057

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL527024

KEGG

By LinkDB

CTD

By CAS RN