PCIDB

KNApSAcK Metabolite C00043256

Metabolite

KNApSAcK Entry

id C00043256
Name Ajacine
CAS RN 509-17-1
Standard InChI InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30?,31?,32-,33?,34?/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 166

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1240989

KEGG

By LinkDB

CTD

By CAS RN