PCIDB

KNApSAcK Metabolite C00002550

Metabolite

KNApSAcK Entry

id C00002550
Name Millettone
CAS RN 50376-38-0
Standard InChI InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3/t18-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H18O6/c1-22(2)6-5-11-14(28-22)4-3-12-20(23)19-13-7-16-17(26-10-25-16)8-15(13)24-9-18(19)27-21(11)12/h3-8,18-19H,9-10H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 589

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10506

CTD

By CAS RN C480849