Metabolite

KNApSAcK Entry

id C00009458
Name 3'-Methylorobol / 3'-O-Methylorobol / Orobol 3'-methyl ether
CAS RN 36190-95-1
Standard InChI InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
Standard InChI (Main Layer) InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL241402
By standard InChI Main Layer CHEMBL241402

KEGG

By LinkDB

CTD

By CAS RN