compound 0100986

Properties Image MNX_ID MNXM1185551 reference envipathM:...8e4e660ca357 formula C13H23N2O7 global charge -1 mol weight 319.334 InChIKey WKSIYJRCJGPBPJ-UHFFFAOYSA-M InChI InChI=1S/C13H24N2O7/c1-5-15(9(4)17)6-10(18)14-13(22,8(3)16)7(2)11(19)12(20)21/h7-9,16-17,22H,5-6H2,1-4H3,(H,14,18)(H,20,21)/p-1 SMILES CCN(C/C(O)=N/C(O)(C(C)O)C(C)C(=O)C(=O)[O-])C(C)O MNX internals InChI (mnx) InChI=1/C13H24N2O7/c1-5-15(9(4)17)6-10(18)14-13(22,8(3)16)7(2)11(19)12(20)21/h7-9,16-17,22H,5-6H2,1-4H3,(H,14,18)(H,20,21)/t7?,8?,9?,13? SMILES (mnx) [CH3:1][CH2:5][N:15]([CH2:6][C:10](=[N:14][C:13]([CH:7]([CH3:2])[C:11]([C:12]([OH:20])=[O:21])=[O:19])([CH:8]([CH3:3])[OH:16])[OH:22])[OH:18])[CH:9]([CH3:4])[OH:17]

Parent-child relations graph

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