compound 0102704

Properties Image MNX_ID MNXM1190359 reference envipathM:...b42513fe0a85 formula C12H17N2O5 global charge -1 mol weight 269.277 InChIKey KHQXZGMACMOIEC-KMKOMSMNSA-M InChI InChI=1S/C12H18N2O5/c1-3-10(9(8-16)12(18)19)13-11(17)7-14(4-2)5-6-15/h3,6,8-9H,4-5,7H2,1-2H3,(H,13,17)(H,18,19)/p-1/b10-3- SMILES C/C=C(\N=C(/O)CN(CC)CC=O)C(C=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O5/c1-3-10(9(8-16)12(18)19)13-11(17)7-14(4-2)5-6-15/h3,6,8-9H,4-5,7H2,1-2H3,(H,13,17)(H,18,19)/b10-3-/t9? SMILES (mnx) [CH3:1]/[CH:3]=[C:10]([CH:9]([CH:8]=[O:16])[C:12](=[O:18])[OH:19])\[N:13]=[C:11](\[CH2:7][N:14]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:15])[OH:17]

Parent-child relations graph

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