PCIDB

KNApSAcK Metabolite C00002537

Metabolite

KNApSAcK Entry

id C00002537
Name Rotenolone / 12a-Hydroxyrotenone
CAS RN 509-96-6
Standard InChI InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 281

Link

ChEMBL

By standard InChI CHEMBL240545
By standard InChI Main Layer CHEMBL240545

KEGG

By LinkDB C10464

CTD

By CAS RN