Mrv1533004231520232D 17 17 0 0 0 0 999 V2000 -0.8612 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8264 -1.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 -0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 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 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END > NP0292347 > NP-MRD > CCCC1=CC(=O)C(OC(C)=O)C1OC(C)=O > InChI=1S/C12H16O5/c1-4-5-9-6-10(15)12(17-8(3)14)11(9)16-7(2)13/h6,11-12H,4-5H2,1-3H3 > WLSDLBZHCOHBHX-UHFFFAOYSA-N > C12H16O5 > 240.255 > 240.099773615 > 3 > 33 > 24.455903985128664 > 1 > 0 > 0 > 1 > 2-(acetyloxy)-5-oxo-3-propylcyclopent-3-en-1-yl acetate > 1.29 > 1.2661364440000005 > -1.71 > 0 > 1 > 0 > 11.98546032325341 > -6.4608253604202 > 69.67000000000002 > 59.226400000000005 > 6 > 1 > 4.69e+00 g/l > 2-(acetyloxy)-5-oxo-3-propylcyclopent-3-en-1-yl acetate > 0 > NP0292347 > 2-(acetyloxy)-5-oxo-3-propylcyclopent-3-en-1-yl acetate $$$$