Mrv1652306242107403D 66 69 0 0 0 0 999 V2000 -3.5923 2.3037 2.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6315 1.2458 2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 1.3527 0.8348 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0888 2.7236 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 1.1884 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8578 0.2652 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6197 -0.6721 -0.6663 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -1.4831 -1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -2.5662 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3413 -3.2625 -2.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0328 -2.8054 -2.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 -1.7428 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5964 -1.0593 -1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 0.0413 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 0.8574 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 0.5539 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 1.5578 0.6011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 1.2881 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 2.1867 1.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -0.1239 1.2102 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7217 -0.5186 -0.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 0.0559 -0.9420 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1073 1.4714 -1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -0.7516 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -0.0199 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -0.9801 -1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 0.9870 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 -0.3707 2.2869 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1407 -1.7903 2.7409 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6275 -1.7992 2.6727 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2843 -0.9198 1.6156 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 -0.7494 0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -1.7046 0.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 3.2373 2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 2.2511 3.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 0.3268 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 2.6044 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1799 3.2094 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9937 3.3605 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1833 2.1530 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3575 1.0182 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0117 0.4069 1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -0.7846 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2908 -2.9127 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -4.1095 -3.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 -3.3455 -3.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6401 -1.4171 -2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 1.9190 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 2.5293 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 1.4624 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 2.2397 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 1.6669 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 -0.4803 -3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 -0.4201 -2.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -1.8224 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 -1.7312 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -1.0409 -1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3568 0.3769 0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 1.7010 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4406 1.5555 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 0.3099 3.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -0.1851 2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 -1.9055 3.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6176 -2.5435 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.5375 3.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 -2.8512 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 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 11 12 1 0 0 0 0 12 13 2 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 6 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 3 0 0 0 25 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 14 6 2 0 0 0 0 32 16 1 0 0 0 0 13 8 1 0 0 0 0 31 20 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 7 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 15 48 1 0 0 0 0 17 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END > NP0010660 > NP-MRD > [H]C([H])=C([H])C(C1=C(\C([H])=C2\N([H])C(=O)[C@]3(OC(C(=C([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N(C2=O)C([H])([H])C([H])([H])C3([H])[H])C2=C([H])C([H])=C([H])C([H])=C2N1[H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C27H33N3O3/c1-8-25(4,5)22-19(18-12-9-10-13-20(18)28-22)16-21-23(31)30-15-11-14-27(30,24(32)29-21)33-26(6,7)17(2)3/h8-10,12-13,16,28H,1-2,11,14-15H2,3-7H3,(H,29,32)/b21-16+/t27-/m0/s1 > FRBBRXZVWXUWHM-UHFFFAOYSA-N > C27H33N3O3 > 447.579 > 447.252191935 > 3 > 66 > 50.04263326500999 > 1 > 2 > 0 > 0 > (3E,8aS)-8a-[(2,3-dimethylbut-3-en-2-yl)oxy]-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-octahydropyrrolo[1,2-a]pyrazine-1,4-dione > 4.57 > 4.511679632999999 > -5.63 > 1 > 4 > 0 > 16.569897001816543 > 11.42534142904002 > -1.0448361648614881 > 74.43 > 131.6521 > 6 > 1 > 1.05e-03 g/l > (3E,8aS)-8a-[(2,3-dimethylbut-3-en-2-yl)oxy]-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione > 0 > NP0010660 > 9ΞΎ-O-2(2,3-dimethylbut-3-enyl)brevianamide Q $$$$