compound 0225564

Properties Image MNX_ID MNXM1197377 reference envipathM:...429d1c023216 formula C15H14NO7 global charge -1 mol weight 320.277 InChIKey QKJWEKRCAVRKCR-TWGQIWQCSA-M InChI InChI=1S/C15H15NO7/c1-7(17)16-10-2-3-12-8(5-10)4-9(15(22)23-12)6-11(18)13(19)14(20)21/h2-3,5-6,11,13,18-19H,4H2,1H3,(H,16,17)(H,20,21)/p-1/b9-6- SMILES CC(=O)NC1=CC=C2OC(=O)/C(=C\C(O)C(O)C(=O)[O-])CC2=C1 MNX internals InChI (mnx) InChI=1/C15H15NO7/c1-7(17)16-10-2-3-12-8(5-10)4-9(15(22)23-12)6-11(18)13(19)14(20)21/h2-3,5-6,11,13,18-19H,4H2,1H3,(H,16,17)(H,20,21)/b9-6-/t11?,13? SMILES (mnx) [CH3:1][C:7](=[N:16][C:10]1=[CH:5][C:8]2=[C:12]([CH:3]=[CH:2]1)[O:23][C:15](=[O:22])/[C:9](=[CH:6]\[CH:11]([CH:13]([C:14](=[O:20])[OH:21])[OH:19])[OH:18])[CH2:4]2)[OH:17]

Parent-child relations graph

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