PCIDB

KNApSAcK Metabolite C00029869

Metabolite

KNApSAcK Entry

id C00029869
Name Caesalmin E / (+)-Caesalpin H
CAS RN 204185091-1
Standard InChI InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3/t17-,19-,20-,21+,22-,24-,25+,26+/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H36O9/c1-13(27)33-19-8-10-23(4,5)26(31)22(35-15(3)29)21(34-14(2)28)20-17(24(19,26)6)12-18-16(9-11-32-18)25(20,7)30/h9,11,17,19-22,30-31H,8,10,12H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 146

Link

ChEMBL

By standard InChI CHEMBL517323
By standard InChI Main Layer CHEMBL464487 CHEMBL517323

KEGG

By LinkDB

CTD

By CAS RN