PCIDB

KNApSAcK Metabolite C00050386

Metabolite

KNApSAcK Entry

id C00050386
Name Neoagigenin
CAS RN 50863-63-3
Standard InChI InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21+,22+,23-,24-,25-,26+,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 171

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL468875 CHEMBL512238

KEGG

By LinkDB

CTD

By CAS RN