PCIDB

KNApSAcK Metabolite C00036069

Metabolite

KNApSAcK Entry

id C00036069
Name Buddlejone / (-)-Buddlejone
CAS RN 177602-13-0
Standard InChI InChI=1S/C20H28O2/c1-12(2)13-7-8-14-17(18(13)22)15(21)11-16-19(3,4)9-6-10-20(14,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H28O2/c1-12(2)13-7-8-14-17(18(13)22)15(21)11-16-19(3,4)9-6-10-20(14,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3

Cluster

Phytochemical cluster No. 40
KCF-S cluster No. 1020

Link

ChEMBL

By standard InChI CHEMBL487591
By standard InChI Main Layer CHEMBL487591

KEGG

By LinkDB

CTD

By CAS RN