compound 0110096

Properties Image MNX_ID MNXM1176561 reference envipathM:...31168cec8fce formula C14H20N2O8 global charge -2 mol weight 344.32 InChIKey ZPKPLXREGZEYRR-TUUOAFJKSA-L InChI InChI=1S/C14H22N2O8/c1-3-16(11(20)7-18)10(19)5-15-13(8(2)14(23)24)9(6-17)4-12(21)22/h4-6,8,10-11,13,18-20H,3,7H2,1-2H3,(H,21,22)(H,23,24)/p-2/b9-4-,15-5+ SMILES CCN(C(O)/C=N/C(/C(C=O)=C\C(=O)[O-])C(C)C(=O)[O-])C(O)CO MNX internals InChI (mnx) InChI=1/C14H22N2O8/c1-3-16(11(20)7-18)10(19)5-15-13(8(2)14(23)24)9(6-17)4-12(21)22/h4-6,8,10-11,13,18-20H,3,7H2,1-2H3,(H,21,22)(H,23,24)/b9-4-,15-5+/t8?,10?,11?,13? SMILES (mnx) [CH3:1][CH2:3][N:16]([CH:10](/[CH:5]=[N:15]/[CH:13]([CH:8]([CH3:2])[C:14](=[O:23])[OH:24])/[C:9](=[CH:4]\[C:12](=[O:21])[OH:22])[CH:6]=[O:17])[OH:19])[CH:11]([CH2:7][OH:18])[OH:20]

Parent-child relations graph

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