compound 0108483

Properties Image MNX_ID MNXM1223281 reference envipathM:...6bd31aba4ec0 formula C14H22N2O9 global charge -2 mol weight 362.335 InChIKey LJSVXVKGCULYOR-GIDUJCDVSA-L InChI InChI=1S/C14H24N2O9/c1-3-16(4-5-17)9(19)6-15-10(8(2)12(21)22)14(25,7-18)11(20)13(23)24/h6-11,17,19-20,25H,3-5H2,1-2H3,(H,21,22)(H,23,24)/p-2/b15-6+ SMILES CCN(CCO)C(O)/C=N/C(C(C)C(=O)[O-])C(O)(C=O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H24N2O9/c1-3-16(4-5-17)9(19)6-15-10(8(2)12(21)22)14(25,7-18)11(20)13(23)24/h6-11,17,19-20,25H,3-5H2,1-2H3,(H,21,22)(H,23,24)/b15-6+/t8?,9?,10?,11?,14? SMILES (mnx) [CH3:1][CH2:3][N:16]([CH2:4][CH2:5][OH:17])[CH:9](/[CH:6]=[N:15]/[CH:10]([CH:8]([CH3:2])[C:12](=[O:21])[OH:22])[C:14]([CH:7]=[O:18])([CH:11]([C:13](=[O:23])[OH:24])[OH:20])[OH:25])[OH:19]

Parent-child relations graph

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