Mrv1533005141521402D 14 13 0 0 0 0 999 V2000 1.0461 3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 3.9039 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3316 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 1.8414 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3329 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 4 1 1 4 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M CHG 2 2 -1 13 -1 M END > NP0339847 > NP-MRD > [O-]C(=O)CC(=O)CC(=O)C=CC([O-])=O > InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2 > GACSIVHAIFQKTC-UHFFFAOYSA-L > C8H6O6 > 198.131 > 198.017535073 > 6 > 20 > 16.439280316572788 > 1 > 0 > -2 > 1 > 4,6-dioxooct-2-enedioate > -0.02 > 0.4027936060000003 > -1.47 > 0 > 0 > -2 > 3.8248983902309295 > 2.716169602537572 > -7.0576341820437145 > 114.4 > 66.0716 > 6 > 1 > 8.02e+00 g/l > 4,6-dioxooct-2-enedioate > 0 > NP0339847 > 4-maleyl-acetoacetate $$$$