compound 0074447

Properties Image MNX_ID MNXM1183487 reference envipathM:...42e2fb3b2114 formula C14H13NO6 global charge 0 mol weight 291.259 InChIKey UIDGBHBFWURUCQ-UHFFFAOYSA-N InChI InChI=1S/C14H13NO6/c16-6-15-8-3-1-7(2-4-8)5-9-10(17)12(19)14(21)13(20)11(9)18/h1-4,9-10,13-14,17,20-21H,5H2 SMILES O=C=NC1=CC=C(CC2C(=O)C(O)C(O)C(=O)C2O)C=C1 MNX internals InChI (mnx) InChI=1/C14H13NO6/c16-6-15-8-3-1-7(2-4-8)5-9-10(17)12(19)14(21)13(20)11(9)18/h1-4,9-10,13-14,17,20-21H,5H2/t9?,10?,13?,14? SMILES (mnx) [CH:1]1=[CH:3][C:8]([N:15]=[C:6]=[O:16])=[CH:4][CH:2]=[C:7]1[CH2:5][CH:9]1[CH:10]([OH:17])[C:12](=[O:19])[CH:14]([OH:21])[CH:13]([OH:20])[C:11]1=[O:18]

Parent-child relations graph

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