compound 0107572

Properties Image MNX_ID MNXM1172083 reference envipathM:...5c652c19f89f formula C14H17N2O7 global charge -1 mol weight 325.297 InChIKey FYVOMXQTWZGRGR-PJQLUOCWSA-M InChI InChI=1S/C14H18N2O7/c1-3-16(11(20)6-17)10(19)5-15-12-7(2)13(21)9(18)4-8(12)14(22)23/h4-6,10-11,18-21H,3H2,1-2H3,(H,22,23)/p-1/b15-5+ SMILES CCN(C(O)C=O)C(O)/C=N/C1=C(C(=O)[O-])C=C(O)C(O)=C1C MNX internals InChI (mnx) InChI=1/C14H18N2O7/c1-3-16(11(20)6-17)10(19)5-15-12-7(2)13(21)9(18)4-8(12)14(22)23/h4-6,10-11,18-21H,3H2,1-2H3,(H,22,23)/b15-5+/t10?,11? SMILES (mnx) [CH3:1][CH2:3][N:16]([CH:10](/[CH:5]=[N:15]/[C:12]1=[C:7]([CH3:2])[C:13]([OH:21])=[C:9]([OH:18])[CH:4]=[C:8]1[C:14](=[O:22])[OH:23])[OH:19])[CH:11]([CH:6]=[O:17])[OH:20]

Parent-child relations graph

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