NP0014542 Mrv2104 05272322413D 76 76 0 0 0 0 999 V2000 5.2915 -3.3231 -1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 -2.3860 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 -1.8538 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4211 -0.9084 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9304 0.3119 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 1.2378 2.0347 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8027 1.1909 2.0105 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2150 1.6462 0.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 2.0058 3.0800 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9861 1.6812 3.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.6081 3.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3383 2.8131 4.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 3.4770 3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 3.2092 2.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 3.8983 1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8928 3.6701 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 2.4634 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 2.1476 -1.3254 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9940 3.3908 -2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7922 1.1250 -1.1837 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9907 1.5518 -1.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 -0.2946 -1.7173 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6478 -1.1067 -1.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2895 -0.9946 -0.9929 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6813 -1.2041 0.3741 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9338 -2.3691 -1.5823 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0812 -2.3444 -2.8608 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1348 -1.0774 -3.5104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -2.7794 -2.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -2.7117 -1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -2.1145 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 -2.0602 0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -2.5402 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9277 -3.4653 1.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 -2.1036 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -4.2834 -1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 -2.8958 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 -3.5256 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8009 -2.1403 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 -1.2663 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 0.6361 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 2.2578 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 0.9659 3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 0.1538 2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 1.0280 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1214 1.5808 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4802 2.6890 0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 2.9820 3.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 3.0737 5.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 4.2895 4.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 2.3982 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 4.7251 2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 4.5733 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 1.5837 0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 1.6666 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 4.0730 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 3.1146 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 3.9434 -1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 1.0389 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7954 1.5814 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2943 -0.2390 -2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4001 -0.4896 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -0.3603 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 -1.6088 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -3.0146 -0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8719 -2.8946 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 -3.0606 -3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -1.0756 -4.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 -3.2705 -3.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -3.1591 -2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -1.6765 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9247 -1.6134 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 -4.2958 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -2.9305 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -3.9142 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -1.4314 -1.3865 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 1 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 6 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 > NP0014542 > 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-RGWQJEJENA-N > C29H41NO5 > 483.649 > 483.298473424 > 5 > 76 > 55.1822923638105 > 1 > 5 > 0 > 0 > (9S,10R,11R,12S,14R,15Z,17Z,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,15Z,17Z,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 > NP0014542 > Lobosamide A $$$$