Mrv1652306242107393D 51 53 0 0 0 0 999 V2000 -4.0879 -1.5819 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 -0.1246 -1.0041 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3240 0.5392 -2.0263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 0.1702 0.2889 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8693 -0.0711 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -1.0055 -0.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 0.9304 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.8614 1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 1.9409 1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 -0.2482 0.9408 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4930 -0.9020 2.2315 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0372 0.1279 3.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 -1.8662 1.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 -2.0609 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -1.2636 -0.4099 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7895 -1.1163 -1.3844 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5138 -0.1214 -2.4744 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0513 0.2981 -2.3326 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9666 1.0131 -0.9870 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1740 0.0609 0.1374 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1355 1.9997 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 3.0336 1.7389 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3544 1.6266 0.4998 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4782 2.4514 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 -1.8337 -2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8776 -2.2290 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 -1.8778 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 0.3123 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 0.4585 -2.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 -0.3901 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 2.8213 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 -1.0774 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 -1.4897 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -0.3240 3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 0.9825 2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 0.4145 3.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -2.4537 2.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 -2.8079 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -1.8049 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -2.1140 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7364 -0.9389 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 0.7747 -2.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -0.5006 -3.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 -0.5634 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8522 0.9951 -3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 1.7399 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 1.6012 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 0.4155 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6752 2.3120 -0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3383 3.5082 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4012 2.0700 0.6367 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 7 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 4 1 0 0 0 0 20 10 1 0 0 0 0 20 15 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 1 0 0 0 3 29 1 0 0 0 0 4 30 1 1 0 0 0 9 31 1 0 0 0 0 10 32 1 6 0 0 0 11 33 1 1 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 6 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 1 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > NP0010618 > NP-MRD > [H]O\C(=C1/C(=O)N(C([H])([H])[H])[C@]([H])(C1=O)[C@@]([H])(O[H])C([H])([H])[H])[C@]1([H])[C@@]([H])(C([H])=C([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])[H] > InChI=1S/C19H27NO4/c1-10-8-9-12-6-4-5-7-13(12)14(10)17(22)15-18(23)16(11(2)21)20(3)19(15)24/h8-14,16,21-22H,4-7H2,1-3H3/b17-15-/t10-,11+,12+,13-,14-,16+/m1/s1 > ACUUAFHILDALFB-ABNNWSSOSA-N > C19H27NO4 > 333.428 > 333.194008353 > 4 > 51 > 36.52304622384207 > 1 > 2 > 0 > 1 > (3Z,5S)-3-{[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-5-[(1S)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione > 1.67 > 1.8939330233333331 > -2.82 > 0 > 3 > -1 > 10.417179750687199 > 4.827620347059202 > -0.7947510587835364 > 77.83999999999999 > 93.3851 > 2 > 1 > 5.00e-01 g/l > (3Z,5S)-3-{[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-5-[(1S)-1-hydroxyethyl]-1-methylpyrrolidine-2,4-dione > 0 > NP0010618 > Methiosetin $$$$