compound 0076296

Properties Image MNX_ID MNXM1170888 reference envipathM:...c5ddbe7fee95 formula C14H13NO7 global charge 0 mol weight 307.258 InChIKey XGYNYBSPBCNIGE-UHFFFAOYSA-N InChI InChI=1S/C14H13NO7/c16-6-15-8-3-1-7(2-4-8)12(20)14(22)10(18)5-9(17)11(19)13(14)21/h1-4,11-13,19-22H,5H2 SMILES O=C=NC1=CC=C(C(O)C2(O)C(=O)CC(=O)C(O)C2O)C=C1 MNX internals InChI (mnx) InChI=1/C14H13NO7/c16-6-15-8-3-1-7(2-4-8)12(20)14(22)10(18)5-9(17)11(19)13(14)21/h1-4,11-13,19-22H,5H2/t11?,12?,13?,14? SMILES (mnx) [CH:1]1=[CH:3][C:8]([N:15]=[C:6]=[O:16])=[CH:4][CH:2]=[C:7]1[CH:12]([C:14]1([OH:22])[C:10](=[O:18])[CH2:5][C:9](=[O:17])[CH:11]([OH:19])[CH:13]1[OH:21])[OH:20]

Parent-child relations graph

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