PCIDB

KNApSAcK Metabolite C00047013

Metabolite

KNApSAcK Entry

id C00047013
Name Bractatin / (-)-Bractatin
CAS RN 267668-10-0
Standard InChI InChI=1S/C28H32O6/c1-8-25(4,5)21-18(30)13-17(29)20-22(31)16-11-15-12-19-26(6,7)34-27(24(15)32,10-9-14(2)3)28(16,19)33-23(20)21/h8-9,11,13,15,19,29-30H,1,10,12H2,2-7H3/t15-,19+,27+,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H32O6/c1-8-25(4,5)21-18(30)13-17(29)20-22(31)16-11-15-12-19-26(6,7)34-27(24(15)32,10-9-14(2)3)28(16,19)33-23(20)21/h8-9,11,13,15,19,29-30H,1,10,12H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2057

Link

ChEMBL

By standard InChI CHEMBL523736
By standard InChI Main Layer CHEMBL523736

KEGG

By LinkDB

CTD

By CAS RN