Marvin 07091310012D 59 71 0 0 0 0 999 V2000 -0.5917 -11.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 -11.1773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7228 -12.8302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 -13.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 -14.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -12.4197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0212 -11.5942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3187 -12.8484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6159 -12.4224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1616 -12.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4268 -13.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -14.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -14.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2965 -13.6448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2893 -12.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 -11.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 -10.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -10.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4437 -11.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 -11.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -14.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -10.3518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -11.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 -10.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -12.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -13.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 -13.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 -13.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -14.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -9.6565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7221 -8.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3036 -6.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -5.9514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4347 -7.6043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -8.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7285 -7.1938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7331 -6.3683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0306 -7.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3278 -7.1964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0084 -8.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0011 -6.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 -6.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -5.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6732 -5.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1556 -5.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8169 -6.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 -8.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -5.1258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -5.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -4.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7327 -8.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -7.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 -6.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -5.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -7.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -8.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6051 -5.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0381 -6.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -8.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 1 2 1 0 0 0 0 8 6 1 0 0 0 0 6 3 1 0 0 0 0 14 29 1 6 0 0 0 22 30 1 0 0 0 0 24 30 1 0 0 0 0 3 4 1 0 0 0 0 30 31 1 6 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 7 16 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 11 13 1 0 0 0 0 12 13 1 0 0 0 0 5 14 1 0 0 0 0 12 14 1 0 0 0 0 8 14 1 0 0 0 0 3 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 4 21 2 0 0 0 0 2 22 1 0 0 0 0 10 23 1 0 0 0 0 23 22 1 0 0 0 0 7 24 1 1 0 0 0 2 25 1 6 0 0 0 6 26 1 1 0 0 0 35 31 1 0 0 0 0 42 43 1 0 0 0 0 36 37 1 0 0 0 0 43 44 2 0 0 0 0 32 33 1 0 0 0 0 44 45 1 0 0 0 0 38 36 1 0 0 0 0 45 46 2 0 0 0 0 46 41 1 0 0 0 0 37 42 1 0 0 0 0 35 47 2 0 0 0 0 33 48 1 0 0 0 0 37 33 1 0 0 0 0 37 49 1 1 0 0 0 38 39 1 0 0 0 0 48 50 1 0 0 0 0 49 50 1 0 0 0 0 39 32 1 0 0 0 0 31 40 2 0 0 0 0 36 51 1 1 0 0 0 38 40 1 0 0 0 0 34 41 1 0 0 0 0 39 52 1 6 0 0 0 39 53 1 0 0 0 0 53 54 1 0 0 0 0 54 48 1 0 0 0 0 53 55 2 0 0 0 0 36 34 1 0 0 0 0 55 56 1 0 0 0 0 34 35 1 0 0 0 0 41 42 2 0 0 0 0 9 27 1 6 0 0 0 33 57 1 6 0 0 0 8 28 1 6 0 0 0 38 58 1 1 0 0 0 7 2 1 0 0 0 0 56 59 1 0 0 0 0 M END > CHEBI:66529 > strychnogucine B > A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. > 3 > (18alpha)-18-[(3aR,11aS,11bS,12R,13aS,14E)-14-(2-hydroxyethylidene)-9-oxo-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-10-yl]strychnidin-10-one > C42H42N4O4 > 666.80730 > 666.32061 > 0 > [H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO > InChI=1S/C42H42N4O4/c47-13-9-22-20-43-12-11-41-28-5-1-4-8-31(28)46-38(41)26(24(22)16-34(41)43)15-27(40(46)49)32-19-42-29-6-2-3-7-30(29)45-36(48)18-33-37(39(42)45)25-17-35(42)44(32)21-23(25)10-14-50-33/h1-10,15,24-26,32-35,37-39,47H,11-14,16-21H2/b22-9-/t24-,25-,26-,32+,33-,34-,35-,37-,38-,39-,41+,42+/m0/s1 > MMKIAHOGFMPKCT-LUNGMMDTSA-N > 8820805 > 11170658 $$$$