Mrv1652306242107393D 32 32 0 0 0 0 999 V2000 -4.4158 0.2466 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 -0.1747 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 -1.2010 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 0.3439 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 -0.0885 0.3353 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2479 -0.7013 -0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5906 -1.1576 -0.3134 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5406 -0.1795 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 1.1079 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 1.6309 0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 2.8297 1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 0.5506 1.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.6148 0.6965 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3634 0.1898 -1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1023 1.3272 -2.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 -0.2891 -3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 1.1576 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1682 -0.5596 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 0.5438 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 -0.7160 2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -2.1214 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -1.4837 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 1.0789 -0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 0.7238 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8367 -0.8990 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -1.5876 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 -1.7312 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -2.0071 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 1.8016 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -1.1793 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -1.2649 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -0.7111 -3.0412 H 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 2 4 2 3 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 12 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 13 8 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 6 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 9 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > NP0010634 > NP-MRD > [H]OC(=O)[C@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C(=O)OC1([H])[H] > InChI=1S/C12H16O4/c1-8(2)3-4-10(12(14)15)5-9-6-11(13)16-7-9/h3,6,10H,4-5,7H2,1-2H3,(H,14,15)/t10-/m1/s1 > XXPVXRYPOYQVHN-UHFFFAOYSA-N > C12H16O4 > 224.256 > 224.104858995 > 3 > 32 > 23.507152311898597 > 1 > 1 > 0 > 1 > (2R)-5-methyl-2-[(5-oxo-2,5-dihydrofuran-3-yl)methyl]hex-4-enoic acid > 1.87 > 2.107004313666666 > -2.49 > 0 > 1 > -1 > 7.445598908741909 > 4.4327476731882935 > -6.822737435812109 > 63.60000000000001 > 60.172900000000006 > 5 > 1 > 7.31e-01 g/l > (2R)-5-methyl-2-[(5-oxo-2H-furan-3-yl)methyl]hex-4-enoic acid > 0 > NP0010634 > Vibralactone J $$$$