compound 0074102

Properties Image MNX_ID MNXM1174014 reference envipathM:...587374106bf8 formula C13H15NO4 global charge 0 mol weight 249.266 InChIKey XRRFOPCQSYLXJW-UHFFFAOYSA-N InChI InChI=1S/C13H15NO4/c14-8-3-1-7(2-4-8)5-9-10(15)6-11(16)13(18)12(9)17/h1-4,9-10,15-16,18H,5-6,14H2 SMILES NC1=CC=C(CC2C(=O)C(O)=C(O)CC2O)C=C1 MNX internals InChI (mnx) InChI=1/C13H15NO4/c14-8-3-1-7(2-4-8)5-9-10(15)6-11(16)13(18)12(9)17/h1-4,9-10,15-16,18H,5-6,14H2/t9?,10? SMILES (mnx) [CH:1]1=[CH:3][C:8]([NH2:14])=[CH:4][CH:2]=[C:7]1[CH2:5][CH:9]1[CH:10]([OH:15])[CH2:6][C:11]([OH:16])=[C:13]([OH:18])[C:12]1=[O:17]

Parent-child relations graph

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