3-(2-formyl-6-hydroxy-4-methylphenyl)-8-hydroxy-1,4-dioxonaphthalene-2-carboxylate

Properties Image MNX_ID MNXM9973 reference metacycM:CPD-12957 formula C19H11O7 global charge -1 mol weight 351.29 InChIKey HOPILBBXJLVQDY-UHFFFAOYSA-M InChI InChI=1S/C19H12O7/c1-8-5-9(7-20)13(12(22)6-8)15-16(19(25)26)18(24)14-10(17(15)23)3-2-4-11(14)21/h2-7,21-22H,1H3,(H,25,26)/p-1 SMILES CC1=CC(O)=C(C2=C(C(=O)[O-])C(=O)C3=C(O)C=CC=C3C2=O)C(C=O)=C1 MNX internals InChI (mnx) InChI=1/C19H12O7/c1-8-5-9(7-20)13(12(22)6-8)15-16(19(25)26)18(24)14-10(17(15)23)3-2-4-11(14)21/h2-7,21-22H,1H3,(H,25,26) SMILES (mnx) [CH3:1][C:8]1=[CH:5][C:9]([CH:7]=[O:20])=[C:13]([C:15]2=[C:16]([C:19](=[O:25])[OH:26])[C:18](=[O:24])[C:14]3=[C:10]([CH:3]=[CH:2][CH:4]=[C:11]3[OH:21])[C:17]2=[O:23])[C:12]([OH:22])=[CH:6]1

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Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0