compound 0225560

Properties Image MNX_ID MNXM1191621 reference envipathM:...8408daebad21 formula C13H11O7 global charge -1 mol weight 279.224 InChIKey RQOSEPUNQYEHNJ-ONNFQVAWSA-M InChI InChI=1S/C13H12O7/c14-7-2-1-5-6(12(7)18)3-8(15)11(5)9(16)4-10(17)13(19)20/h1-2,4,9,11,14,16-18H,3H2,(H,19,20)/p-1/b10-4+ SMILES O=C([O-])/C(O)=C\C(O)C1C(=O)CC2=C(O)C(O)=CC=C21 MNX internals InChI (mnx) InChI=1/C13H12O7/c14-7-2-1-5-6(12(7)18)3-8(15)11(5)9(16)4-10(17)13(19)20/h1-2,4,9,11,14,16-18H,3H2,(H,19,20)/b10-4+/t9?,11? SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:14])=[C:12]([OH:18])[C:6]2=[C:5]1[CH:11]([CH:9](/[CH:4]=[C:10](\[C:13](=[O:19])[OH:20])[OH:17])[OH:16])[C:8](=[O:15])[CH2:3]2

Parent-child relations graph

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