Decoquinate (USP/INN)

Properties Image MNX_ID MNXM48873 reference keggD:D03667 formula C24H35NO5 global charge 0 mol weight 417.546 InChIKey JHAYEQICABJSTP-UHFFFAOYSA-N InChI InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26) SMILES CCCCCCCCCCOC1=CC2=C(O)C(C(=O)OCC)=CN=C2C=C1OCC MNX internals InChI (mnx) InChI=1/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26) SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:30][C:21]1=[C:22]([O:28][CH2:5][CH3:2])[CH:16]=[C:20]2[C:18](=[CH:15]1)[C:23](=[O:26])[C:19]([C:24](=[O:27])[O:29][CH2:6][CH3:3])=[CH:17][NH:25]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0