PCIDB

KNApSAcK Metabolite C00031898

Metabolite

KNApSAcK Entry

id C00031898
Name Isoelemicin / (E)-Isoelemicin
CAS RN 5273-85-8
Standard InChI InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
Standard InChI (Main Layer) InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 723

Link

ChEMBL

By standard InChI CHEMBL121548
By standard InChI Main Layer CHEMBL121548

KEGG

By LinkDB C16975

CTD

By CAS RN