Mrv1652307042107013D 78 82 0 0 0 0 999 V2000 0.4183 -2.3755 4.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -1.2748 3.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5841 -0.7496 2.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2927 0.2942 1.7978 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1419 1.2230 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 1.1975 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 0.0703 1.5217 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6039 0.2096 0.9137 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1929 -1.1051 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 1.3236 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3148 1.2541 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4992 2.4629 -2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 0.0971 -1.8127 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5153 -0.4075 -2.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3442 0.4500 -2.5006 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1259 1.8037 -2.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2268 -0.3728 -1.8684 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0747 0.2961 -1.7481 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6533 0.4727 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 1.5340 -0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -0.3762 0.7536 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3465 -1.8045 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 -2.4623 0.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -2.2929 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6837 -1.6810 0.7920 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9198 -1.5512 0.0420 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9851 -0.7658 -1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.2675 -2.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -0.2574 -3.3309 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 0.8888 -2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 2.1594 -3.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 3.1857 -2.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 2.9129 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 1.6332 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 0.5698 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 -0.5208 1.4268 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8535 -0.7104 2.9376 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9617 -1.5713 3.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 -3.3324 3.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 -2.5812 4.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9602 -2.0922 5.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -1.2038 3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 0.9545 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 2.1600 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9632 2.0569 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 0.1540 2.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 -0.9289 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 0.5133 1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7172 -1.0867 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 -1.9618 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0205 -1.4522 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2162 2.2866 0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 2.7380 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 2.2150 -3.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8282 3.2646 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -0.7444 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 -0.1353 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 0.1908 -3.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 2.0701 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.2931 -2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6614 -0.7463 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 -0.2440 -2.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0149 1.2885 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -2.9631 -0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -2.4955 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -2.6110 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6933 -1.1424 0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 -2.2933 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.3480 -4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 2.3785 -4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 4.2177 -2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 3.7450 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 1.4312 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 0.4117 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 0.2991 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -1.2489 4.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -2.6364 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 -1.3264 3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 19 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 25 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 2 1 0 0 0 0 21 4 1 0 0 0 0 35 27 1 0 0 0 0 36 21 1 0 0 0 0 35 30 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 1 0 0 0 5 44 1 0 0 0 0 6 45 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 48 1 1 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 52 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 56 1 1 0 0 0 14 57 1 0 0 0 0 15 58 1 6 0 0 0 16 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 1 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 36 74 1 1 0 0 0 37 75 1 1 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 M END > NP0014276 > NP-MRD > [H]O[C@]1([H])\C(=C([H])/[C@@]([H])(C([H])([H])[H])C([H])([H])\C([H])=C([H])/[C@@]2([H])C([H])=C(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]3([H])[C@@]([H])(N([H])C(=O)[C@@]23C(=O)C([H])([H])C([H])([H])[C@]1([H])O[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H] > InChI=1S/C32H40N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26-27,29-30,33,35,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7-,20-14-/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1 > PIJSZACUNSKNMK-KAHJOMPQSA-N > C32H40N2O4 > 516.682 > 516.298807776 > 4 > 78 > 56.652849274535704 > 1 > 4 > 0 > 0 > (3S,4S,6aS,10S,13R,14S,17aS,17bR)-13,14-dihydroxy-3-[(1H-indol-3-yl)methyl]-4,5,10,12-tetramethyl-1H,2H,3H,4H,6aH,9H,10H,13H,14H,15H,16H,17H,17bH-cyclotrideca[e]isoindole-1,17-dione > 3.79 > 4.307847830333333 > -5.14 > 0 > 5 > 0 > 14.39253461627878 > 13.455382860381938 > -2.439517697914647 > 102.41999999999999 > 152.06570000000002 > 2 > 0 > 3.75e-03 g/l > (3S,4S,6aS,10S,13R,14S,17aS,17bR)-13,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2H,3H,4H,6aH,9H,10H,13H,14H,15H,16H,17bH-cyclotrideca[e]isoindole-1,17-dione > 0 > NP0014276 > Armochaetoglobin I $$$$