PCIDB

KNApSAcK Metabolite C00031339

Metabolite

KNApSAcK Entry

id C00031339
Name Secologanin dimethyl acetal / (-)-Secologanin dimethyl acetal
CAS RN 77988-07-9
Standard InChI InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3/t9-,10+,12-,14-,15+,16-,18+,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C19H30O11/c1-5-9-10(6-13(25-2)26-3)11(17(24)27-4)8-28-18(9)30-19-16(23)15(22)14(21)12(7-20)29-19/h5,8-10,12-16,18-23H,1,6-7H2,2-4H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 806

Link

ChEMBL

By standard InChI CHEMBL464473
By standard InChI Main Layer CHEMBL464473

KEGG

By LinkDB

CTD

By CAS RN