compound 0225983

Properties Image MNX_ID MNXM1180681 reference envipathM:...768dc7540cd4 formula C13H7O7 global charge -1 mol weight 275.192 InChIKey FEFQBMWRCZYSRB-VKDZAETISA-M InChI InChI=1S/C13H8O7/c14-7-3-1-5-6(2-4-8(15)13(19)20)10(16)12(18)9(5)11(7)17/h1-4,14-15,17H,(H,19,20)/p-1/b6-2-,8-4+ SMILES O=C1C(=O)/C(=C\C=C(\O)C(=O)[O-])C2=CC=C(O)C(O)=C12 MNX internals InChI (mnx) InChI=1/C13H8O7/c14-7-3-1-5-6(2-4-8(15)13(19)20)10(16)12(18)9(5)11(7)17/h1-4,14-15,17H,(H,19,20)/b6-2-,8-4+ SMILES (mnx) [CH:1]1=[CH:3][C:7]([OH:14])=[C:11]([OH:17])[C:9]2=[C:5]1/[C:6](=[CH:2]/[CH:4]=[C:8](\[C:13](=[O:19])[OH:20])[OH:15])[C:10](=[O:16])[C:12]2=[O:18]

Parent-child relations graph

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