compound 0074669

Properties Image MNX_ID MNXM1182250 reference envipathM:...e382752704e1 formula C13H10NO9 global charge -1 mol weight 324.221 InChIKey JWLRMAHFSBUKLY-UHFFFAOYSA-M InChI InChI=1S/C13H11NO9/c1-4(7(16)12(21)13(22)23)2-5-8(17)10(19)6(14-3-15)11(20)9(5)18/h7,16-20H,1-2H2,(H,22,23)/p-1 SMILES C=C(CC1=C(O)C(O)=C(N=C=O)C(O)=C1O)C(O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H11NO9/c1-4(7(16)12(21)13(22)23)2-5-8(17)10(19)6(14-3-15)11(20)9(5)18/h7,16-20H,1-2H2,(H,22,23)/t7? SMILES (mnx) [CH2:1]=[C:4]([CH2:2][C:5]1=[C:8]([OH:17])[C:10]([OH:19])=[C:6]([N:14]=[C:3]=[O:15])[C:11]([OH:20])=[C:9]1[OH:18])[CH:7]([C:12]([C:13]([OH:22])=[O:23])=[O:21])[OH:16]

Parent-child relations graph

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