compound 0075242

Properties Image MNX_ID MNXM1182851 reference envipathM:...23f48ac09341 formula C13H10NO8 global charge -1 mol weight 308.222 InChIKey YUODJSAZFVNJCE-UHFFFAOYSA-M InChI InChI=1S/C13H11NO8/c15-5-14-9-8(17)4-6(10(18)12(9)20)2-1-3-7(16)11(19)13(21)22/h4,17-18,20H,1-3H2,(H,21,22)/p-1 SMILES O=C=NC1=C(O)C(O)=C(CCCC(=O)C(=O)C(=O)[O-])C=C1O MNX internals InChI (mnx) InChI=1/C13H11NO8/c15-5-14-9-8(17)4-6(10(18)12(9)20)2-1-3-7(16)11(19)13(21)22/h4,17-18,20H,1-3H2,(H,21,22) SMILES (mnx) [CH2:1]([CH2:2][C:6]1=[CH:4][C:8]([OH:17])=[C:9]([N:14]=[C:5]=[O:15])[C:12]([OH:20])=[C:10]1[OH:18])[CH2:3][C:7]([C:11]([C:13](=[O:21])[OH:22])=[O:19])=[O:16]

Parent-child relations graph

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