compound 0076738

Properties Image MNX_ID MNXM1187287 reference envipathM:...3a8efe20563b formula C14H14NO8 global charge -1 mol weight 324.265 InChIKey CTFFBKRKIRIKDR-UHFFFAOYSA-M InChI InChI=1S/C14H15NO8/c16-9-8(23-13(20)12(19)11(18)10(9)17)5-6-1-3-7(4-2-6)15-14(21)22/h1-4,8,10-12,15,17-19H,5H2,(H,21,22)/p-1 SMILES O=C([O-])NC1=CC=C(CC2OC(=O)C(O)C(O)C(O)C2=O)C=C1 MNX internals InChI (mnx) InChI=1/C14H15NO8/c16-9-8(23-13(20)12(19)11(18)10(9)17)5-6-1-3-7(4-2-6)15-14(21)22/h1-4,8,10-12,15,17-19H,5H2,(H,21,22)/t8?,10?,11?,12? SMILES (mnx) [CH:1]1=[CH:3][C:7]([NH:15][C:14](=[O:21])[OH:22])=[CH:4][CH:2]=[C:6]1[CH2:5][CH:8]1[C:9](=[O:16])[CH:10]([OH:17])[CH:11]([OH:18])[CH:12]([OH:19])[C:13](=[O:20])[O:23]1

Parent-child relations graph

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