NP0014543 Mrv2104 05272322413D 76 76 0 0 0 0 999 V2000 -5.6686 1.7766 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3994 1.2315 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 0.2249 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 -0.6013 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6839 -1.4105 2.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7913 -1.5480 3.4884 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7703 -2.7025 3.3952 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4442 -3.2377 4.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -2.2361 2.7593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 -3.0887 2.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 -4.2859 1.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.3678 1.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7482 -2.8852 1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -4.2746 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3027 -4.7181 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 -3.9042 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 -3.0222 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 -1.9867 -1.2868 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7295 -2.3016 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 -0.6062 -0.7806 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1022 -0.3980 0.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 0.6134 -1.6072 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6696 0.7508 -1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 1.9093 -1.0682 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1235 2.2322 0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 3.1059 -1.9976 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0487 4.3742 -1.5675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2723 5.4073 -2.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 4.1401 -1.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 4.3364 -2.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 4.0413 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3059 3.0383 -1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 2.6339 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5792 3.0617 -2.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.8409 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 1.3104 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 1.5995 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6201 2.8641 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 -0.0827 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3649 -0.6190 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5886 -2.0180 2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2854 -0.5972 3.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4609 -1.7171 4.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -3.5285 2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 -2.4535 5.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 -3.6216 5.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -4.0550 4.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -1.3067 3.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -1.2846 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 -2.1564 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -5.0235 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4818 -5.7924 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 -4.0358 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -2.9712 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -2.0004 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8956 -2.2353 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 -1.6157 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 -3.3133 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -0.6000 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.2464 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 0.4610 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8624 1.1216 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 1.7247 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 1.3998 0.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 3.3549 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 2.8351 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4451 4.7457 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 5.0090 -3.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 3.7548 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 4.7545 -3.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 4.6695 -2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 2.4368 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 4.0627 -2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 2.3718 -2.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 3.0754 -3.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 1.5796 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 3 0 0 0 3 4 1 0 0 0 0 4 5 2 3 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 3 0 0 0 13 14 1 0 0 0 0 14 15 2 3 0 0 0 15 16 1 0 0 0 0 16 17 2 3 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 3 0 0 0 35 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 44 1 6 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 6 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 1 0 0 0 21 60 1 0 0 0 0 22 61 1 6 0 0 0 23 62 1 0 0 0 0 24 63 1 1 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 1 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 M END > NP0014543 > NP-MRD > [H]O[C@@]1([H])\C([H])=C(/[H])\C(\[H])=C([H])\C(=C([H])C(=C([H])C([H])=C([H])C([H])([H])[C@@]([H])(N([H])C(=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1/C29H41NO5/c1-21-13-9-11-16-24(4)30-27(33)18-8-6-5-7-15-23(3)28(34)29(35)26(32)20-25(31)17-12-10-14-22(2)19-21/h5-15,17-19,23-26,28-29,31-32,34-35H,16,20H2,1-4H3,(H,30,33)/b6-5-,11-9-,14-10+,15-7+,17-12+,18-8-,21-13+,22-19+/t23-,24-,25-,26-,28+,29+/s2 > OXBKRYKWMRJSMZ-FJDURHHTNA-N > C29H41NO5 > 483.649 > 483.298473424 > 5 > 76 > 56.568077190892495 > 1 > 5 > 0 > 0 > (9S,10R,11R,12S,14R,15E,17E,26S)-10,11,12,14-tetrahydroxy-9,19,21,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one > 2.6488441399999996 > 0 > 1 > 0 > 14.270549543525437 > 13.062761847385655 > -0.18240251029807822 > 110.02000000000001 > 151.10720000000003 > 0 > 1 > (9S,10R,11R,12S,14R,15E,17E,26S)-10,11,12,14-tetrahydroxy-9,19,21,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one > 0 > NP0014543 > Lobosamide B $$$$