compound 0237642

Properties Image MNX_ID MNXM1138587 reference envipathM:...6be5bc6ab2c0 formula C15H16N2O8 global charge -2 mol weight 352.299 InChIKey BWBARAZDBLKDLU-UHFFFAOYSA-L InChI InChI=1S/C15H18N2O8/c1-15(25,16-2)9(11(19)13(21)22)10(17-12(20)14(23)24)7-5-3-4-6-8(7)18/h3-6,9,12,16,18,20,25H,1-2H3,(H,21,22)(H,23,24)/p-2 SMILES CNC(C)(O)C(C(=O)C(=O)[O-])C(=NC(O)C(=O)[O-])C1=C(O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C15H18N2O8/c1-15(25,16-2)9(11(19)13(21)22)10(17-12(20)14(23)24)7-5-3-4-6-8(7)18/h3-6,9,12,16,18,20,25H,1-2H3,(H,21,22)(H,23,24)/b17-10?/t9?,12?,15? SMILES (mnx) [CH3:1][C:15]([CH:9]([C:10]([C:7]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:8]1[OH:18])=[N:17][CH:12]([C:14](=[O:23])[OH:24])[OH:20])[C:11]([C:13]([OH:21])=[O:22])=[O:19])([NH:16][CH3:2])[OH:25]

Parent-child relations graph

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