PCIDB

KNApSAcK Metabolite C00033189

Metabolite

KNApSAcK Entry

id C00033189
Name Melianin B
CAS RN 57589-60-3
Standard InChI InChI=1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-28,30-35,44-45H,15,17-22H2,1-9H3/t26-,27+,28-,30+,31+,32-,33-,34+,35+,39+,40+,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-28,30-35,44-45H,15,17-22H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2887

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL446959

KEGG

By LinkDB

CTD

By CAS RN