Mrv0541 05061307172D 14 14 0 0 0 0 999 V2000 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 3 1 0 0 0 0 14 5 1 0 0 0 0 M END > NP0193707 > NP-MRD > OC(=O)C1=CC(=O)C(O)=C(O1)C(O)=O > InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13) > ZEGRKMXCOCRTCS-UHFFFAOYSA-N > C7H4O7 > 200.1025 > 199.995702482 > 7 > 15.80718900350467 > 1 > 3 > 0 > 0 > 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid > -0.20 > -0.4003917926666667 > -1.69 > 0 > 1 > -2 > 2.637411580736235 > 1.689774939113919 > -4.826971488306953 > 121.13 > 42.51350000000001 > 2 > 1 > 4.07e+00 g/l > 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid > 0 > NP0193707 > meconic acid $$$$