PCIDB

KNApSAcK Metabolite C00047053

Metabolite

KNApSAcK Entry

id C00047053
Name Isobractatin / (-)-Isobractatin
CAS RN 267897-99-4
Standard InChI InChI=1S/C28H32O6/c1-13(2)8-9-27-24(31)15-10-16-22(30)20-17(29)12-18-21(25(4,5)14(3)32-18)23(20)33-28(16,27)19(11-15)26(6,7)34-27/h8,10,12,14-15,19,29H,9,11H2,1-7H3/t14-,15+,19-,27?,28?/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H32O6/c1-13(2)8-9-27-24(31)15-10-16-22(30)20-17(29)12-18-21(25(4,5)14(3)32-18)23(20)33-28(16,27)19(11-15)26(6,7)34-27/h8,10,12,14-15,19,29H,9,11H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 388

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL496069

KEGG

By LinkDB

CTD

By CAS RN