PCIDB

KNApSAcK Metabolite C00046990

Metabolite

KNApSAcK Entry

id C00046990
Name 1-O-Methylisobractatin / (-)-1-O-Methylisobractatin
CAS RN 267668-08-6
Standard InChI InChI=1S/C29H34O6/c1-14(2)9-10-28-25(31)16-11-17-23(30)21-18(32-8)13-19-22(26(4,5)15(3)33-19)24(21)34-29(17,28)20(12-16)27(6,7)35-28/h9,11,13,15-16,20H,10,12H2,1-8H3/t15-,16+,20-,28-,29?/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H34O6/c1-14(2)9-10-28-25(31)16-11-17-23(30)21-18(32-8)13-19-22(26(4,5)15(3)33-19)24(21)34-29(17,28)20(12-16)27(6,7)35-28/h9,11,13,15-16,20H,10,12H2,1-8H3

Cluster

Phytochemical cluster
KCF-S cluster No. 388

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL498284

KEGG

By LinkDB

CTD

By CAS RN