PCIDB

KNApSAcK Metabolite C00005053

Metabolite

KNApSAcK Entry

id C00005053
Name Melisimplin / 5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone / 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS RN 485-53-0
Standard InChI InChI=1S/C19H16O8/c1-22-13-7-12-14(15(20)18(13)23-2)16(21)19(24-3)17(27-12)9-4-5-10-11(6-9)26-8-25-10/h4-7,20H,8H2,1-3H3
Standard InChI (Main Layer) InChI=1S/C19H16O8/c1-22-13-7-12-14(15(20)18(13)23-2)16(21)19(24-3)17(27-12)9-4-5-10-11(6-9)26-8-25-10/h4-7,20H,8H2,1-3H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 3

Link

ChEMBL

By standard InChI CHEMBL1984821
By standard InChI Main Layer CHEMBL1984821

KEGG

By LinkDB

CTD

By CAS RN