compound 0104041

Properties Image MNX_ID MNXM1169894 reference envipathM:...cc9e257fccdc formula C14H19N2O7 global charge -1 mol weight 327.313 InChIKey DYILHRSWPGZBIK-SYZQJQIISA-M InChI InChI=1S/C14H20N2O7/c1-7-3-10(19)14(23)9(6-17)13(7)15-4-11(20)16(8(2)18)5-12(21)22/h3-4,8,11,17-20,23H,5-6H2,1-2H3,(H,21,22)/p-1/b15-4+ SMILES CC1=C(/N=C/C(O)N(CC(=O)[O-])C(C)O)C(CO)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C14H20N2O7/c1-7-3-10(19)14(23)9(6-17)13(7)15-4-11(20)16(8(2)18)5-12(21)22/h3-4,8,11,17-20,23H,5-6H2,1-2H3,(H,21,22)/b15-4+/t8?,11? SMILES (mnx) [CH3:1][C:7]1=[CH:3][C:10]([OH:19])=[C:14]([OH:23])[C:9]([CH2:6][OH:17])=[C:13]1/[N:15]=[CH:4]/[CH:11]([N:16]([CH2:5][C:12](=[O:21])[OH:22])[CH:8]([CH3:2])[OH:18])[OH:20]

Parent-child relations graph

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