compound 0068163

Properties Image MNX_ID MNXM1196147 reference envipathM:...86fb02b0a02c formula C15H16ClN3O6 global charge -2 mol weight 369.761 InChIKey INPZRGLGBMFDHN-AMGMABBJSA-L InChI InChI=1S/C15H18ClN3O6/c1-2-3-10-6-24-15(25-10,7-19-9-17-8-18-19)11(4-5-12(20)21)13(16)14(22)23/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,21)(H,22,23)/p-2/b5-4-,13-11- SMILES CCCC1COC(CN2C=NC=N2)(C(/C=C\C(=O)[O-])=C(\Cl)C(=O)[O-])O1 MNX internals InChI (mnx) InChI=1/C15H18ClN3O6/c1-2-3-10-6-24-15(25-10,7-19-9-17-8-18-19)11(4-5-12(20)21)13(16)14(22)23/h4-5,8-10H,2-3,6-7H2,1H3,(H,20,21)(H,22,23)/b5-4-,13-11-/t10?,15? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH:10]1[CH2:6][O:24][C:15]([CH2:7][N:19]2[CH:9]=[N:17][CH:8]=[N:18]2)([C:11](/[CH:4]=[CH:5]\[C:12](=[O:20])[OH:21])=[C:13](/[C:14](=[O:22])[OH:23])[Cl:16])[O:25]1

Parent-child relations graph

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