PCIDB

KNApSAcK Metabolite C00003761

Metabolite

KNApSAcK Entry

id C00003761
Name Azafrin / escobedin
CAS RN 507-61-9
Standard InChI InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)

Cluster

Phytochemical cluster
KCF-S cluster No. 3808

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08581

CTD

By CAS RN C047580