compound 0102269

Properties Image MNX_ID MNXM1195027 reference envipathM:...7c1c546b208b formula C13H19N2O7 global charge -1 mol weight 315.302 InChIKey CHRNOZZQVHWVBV-WMZJFQQLSA-M InChI InChI=1S/C13H20N2O7/c1-3-15(8(2)18)6-11(19)14-10(4-5-16)9(7-17)12(20)13(21)22/h4,7-9,16,18H,3,5-6H2,1-2H3,(H,14,19)(H,21,22)/p-1/b10-4- SMILES CCN(C/C(O)=N/C(=C\CO)C(C=O)C(=O)C(=O)[O-])C(C)O MNX internals InChI (mnx) InChI=1/C13H20N2O7/c1-3-15(8(2)18)6-11(19)14-10(4-5-16)9(7-17)12(20)13(21)22/h4,7-9,16,18H,3,5-6H2,1-2H3,(H,14,19)(H,21,22)/b10-4-/t8?,9? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:6]/[C:11](=[N:14]/[C:10](=[CH:4]\[CH2:5][OH:16])[CH:9]([CH:7]=[O:17])[C:12]([C:13]([OH:21])=[O:22])=[O:20])[OH:19])[CH:8]([CH3:2])[OH:18]

Parent-child relations graph

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