16758638 -OEChem-05082402352D 82 86 0 1 0 0 0 0 0999 V2000 9.5081 3.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 3.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 -0.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0205 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0321 1.8276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 2.3307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5298 1.8307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2619 1.8307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5298 0.8307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3798 3.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2619 0.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2778 3.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1719 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1799 3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8807 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8691 -0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7293 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7177 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6011 -0.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5779 -2.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5664 -3.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4266 -4.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4150 -5.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2983 -3.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1287 2.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4399 2.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 1.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4399 -0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8471 3.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4739 0.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9973 -0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7944 -0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8142 4.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7899 3.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3935 3.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 4.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8097 5.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4900 0.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0995 0.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3286 -0.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1085 -2.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4990 -2.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9048 -1.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1415 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2973 -0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1872 -2.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7967 -2.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0259 -4.0059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7950 -5.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4078 -5.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0350 -5.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6021 -4.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8388 -3.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9945 -3.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 55 1 0 0 0 0 16 2 1 6 0 0 0 2 56 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 43 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 44 1 6 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 45 1 1 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 46 1 1 0 0 0 13 16 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 19 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 23 25 2 0 0 0 0 23 58 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 36 1 0 0 0 0 33 69 1 0 0 0 0 34 37 2 0 0 0 0 34 70 1 0 0 0 0 35 38 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 39 2 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 38 40 2 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 M END > 16758638 > 1 > 1060 > 7 > 2 > 9 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFjBQAAAHgAECAAADRyhkAIyxoMQBgCoAyVyUACCCAAhIgAIiAE2bIgNNjLEsZuGeCjmxDnJ6Ae/3PPOgAAAAgAAAADAAAYEADCAAAAAAAAAAA== > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]imino-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]imino-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]imino-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]imino-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]imino-8,9-bis(oxidanyl)-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione > (3aS,5aR,6Z,8R,9S,9aS,9bS)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]oximino-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benz[e]isoindole-1,3-quinone > InChI=1S/C34H40N2O6/c1-21(2)9-7-10-22(3)17-18-41-35-28-20-29(37)32(38)30-26(28)15-16-27-31(30)34(40)36(33(27)39)23-11-8-14-25(19-23)42-24-12-5-4-6-13-24/h4-6,8-9,11-14,17,19,26-27,29-32,37-38H,7,10,15-16,18,20H2,1-3H3/b22-17+,35-28-/t26-,27-,29+,30-,31+,32+/m0/s1 > IOKUDGNEANRFKV-UBDTYMALSA-N > 5.2 > 572.28863700 > C34H40N2O6 > 572.7 > CC(=CCCC(=CCON=C1CC(C(C2C1CCC3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O)O)C)C > CC(=CCC/C(=C/CO/N=C\1/C[C@H]([C@H]([C@H]2[C@H]1CC[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O)O)/C)C > 109 > 572.28863700 > 0 > 42 > 6 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 13 1 6 10 44 6 11 45 5 12 46 5 16 2 6 21 22 8 21 23 8 22 24 8 23 25 8 24 27 8 25 27 8 30 33 8 30 34 8 33 36 8 34 37 8 36 39 8 37 39 8 9 43 6 $$$$