compound 0075668

Properties Image MNX_ID MNXM1178027 reference envipathM:...7ccdf5e3aed5 formula C14H13NO7 global charge -2 mol weight 307.258 InChIKey BVPXEZHBDMTKPW-UHFFFAOYSA-L InChI InChI=1S/C14H15NO7/c16-7-10(17)6-12(18)11(13(19)20)5-8-1-3-9(4-2-8)15-14(21)22/h1-4,6,11,15-16,18H,5,7H2,(H,19,20)(H,21,22)/p-2 SMILES O=C(C=C(O)C(CC1=CC=C(NC(=O)[O-])C=C1)C(=O)[O-])CO MNX internals InChI (mnx) InChI=1/C14H15NO7/c16-7-10(17)6-12(18)11(13(19)20)5-8-1-3-9(4-2-8)15-14(21)22/h1-4,6,11,15-16,18H,5,7H2,(H,19,20)(H,21,22)/b12-6?/t11? SMILES (mnx) [CH:1]1=[CH:3][C:9]([NH:15][C:14](=[O:21])[OH:22])=[CH:4][CH:2]=[C:8]1[CH2:5][CH:11]([C:12](=[CH:6][C:10]([CH2:7][OH:16])=[O:17])[OH:18])[C:13](=[O:19])[OH:20]

Parent-child relations graph

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