compound 0045805

Properties Image MNX_ID MNXM1185313 reference envipathM:...d21a791a376e formula C7H10NO4 global charge -1 mol weight 172.16 InChIKey JAFWTAVNNQVHTO-UHFFFAOYSA-M InChI InChI=1S/C7H11NO4/c1-6(2,4-9)7(12,3-8)5(10)11/h9,12H,4H2,1-2H3,(H,10,11)/p-1 SMILES CC(C)(CO)C(O)(C#N)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H11NO4/c1-6(2,4-9)7(12,3-8)5(10)11/h9,12H,4H2,1-2H3,(H,10,11)/t7? SMILES (mnx) [CH3:1][C:6]([CH3:2])([CH2:4][OH:9])[C:7]([C:3]#[N:8])([C:5](=[O:10])[OH:11])[OH:12]

Parent-child relations graph

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