compound 0102441

Properties Image MNX_ID MNXM1190983 reference envipathM:...8699f08827fe formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey QHSVCPQKUJGHNI-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O7/c1-4-15(5-2)6-9(18)14-10(8(17)7-16)13(3,22)11(19)12(20)21/h10,16,22H,4-7H2,1-3H3,(H,14,18)(H,20,21)/p-1 SMILES CCN(CC)C/C(O)=N/C(C(=O)CO)C(C)(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-4-15(5-2)6-9(18)14-10(8(17)7-16)13(3,22)11(19)12(20)21/h10,16,22H,4-7H2,1-3H3,(H,14,18)(H,20,21)/t10?,13? SMILES (mnx) [CH3:1][CH2:4][N:15]([CH2:5][CH3:2])[CH2:6][C:9](=[N:14][CH:10]([C:8]([CH2:7][OH:16])=[O:17])[C:13]([CH3:3])([C:11]([C:12]([OH:20])=[O:21])=[O:19])[OH:22])[OH:18]

Parent-child relations graph

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