Mrv2104 05272302262D 11 11 0 0 0 0 999 V2000 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 1.7262 0.0000 O 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 0.1842 1.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 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 0.7145 -0.4125 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 0.0000 0.8250 0.0000 C 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 0.9626 2.6447 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 3 9 1 0 0 0 0 1 11 1 0 0 0 0 M CHG 1 11 -1 M END > NP0339861 > NP-MRD > OC1(C=CCCC1=O)C([O-])=O > InChI=1/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h2,4,11H,1,3H2,(H,9,10)/p-1 > WEZWWZKUBQCMBL-UHFFFAOYNA-M > C7H7O4 > 155.13 > 155.034982285 > 4 > 18 > 13.66026492087055 > 1 > 1 > -1 > 0 > 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate > 0.26943382233333335 > 0 > 1 > -1 > 11.835792774164299 > 3.3716768564590542 > -4.839461018484295 > 77.42999999999999 > 47.7388 > 1 > 1 > 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate > 0 > NP0339861 > 6-hydroxy-2-cyclohexen-one-carboxylate $$$$