compound 0102061

Properties Image MNX_ID MNXM1173517 reference envipathM:...9e694af8e10c formula C13H21N2O7 global charge -1 mol weight 317.318 InChIKey SRUFHJWMRDVBQU-UHFFFAOYSA-M InChI InChI=1S/C13H22N2O7/c1-3-15(4-2)7-10(18)14-9(5-6-16)13(22,8-17)11(19)12(20)21/h8-9,16,22H,3-7H2,1-2H3,(H,14,18)(H,20,21)/p-1 SMILES CCN(CC)C/C(O)=N/C(CCO)C(O)(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H22N2O7/c1-3-15(4-2)7-10(18)14-9(5-6-16)13(22,8-17)11(19)12(20)21/h8-9,16,22H,3-7H2,1-2H3,(H,14,18)(H,20,21)/t9?,13? SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:4][CH3:2])[CH2:7][C:10](=[N:14][CH:9]([CH2:5][CH2:6][OH:16])[C:13]([CH:8]=[O:17])([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