PCIDB

KNApSAcK Metabolite C00002084

Metabolite

KNApSAcK Entry

id C00002084
Name Doronine
CAS RN 60367-00-2
Standard InChI InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3

Cluster

Phytochemical cluster No. 2
KCF-S cluster No. 838

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C10286

CTD

By CAS RN