compound 0074652

Properties Image MNX_ID MNXM1187272 reference envipathM:...847ce0caaa57 formula C14H9NO6 global charge 0 mol weight 287.227 InChIKey VBSQIVCYVCZKOM-UHFFFAOYSA-N InChI InChI=1S/C14H9NO6/c16-6-15-8-3-1-7(2-4-8)5-9-10(17)12(19)14(21)13(20)11(9)18/h1-4,9,19,21H,5H2 SMILES O=C=NC1=CC=C(CC2C(=O)C(=O)C(O)=C(O)C2=O)C=C1 MNX internals InChI (mnx) InChI=1/C14H9NO6/c16-6-15-8-3-1-7(2-4-8)5-9-10(17)12(19)14(21)13(20)11(9)18/h1-4,9,19,21H,5H2/t9? 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[C:10](=[O:17])[C:12]([OH:19])=[C:14]([OH:21])[C:13](=[O: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