Mrv0541 05041403252D 70 74 0 0 1 0 999 V2000 4.9058 -4.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 1.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2990 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 -0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7830 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 -3.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9393 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3157 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -3.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 0.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1016 0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -0.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3476 1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 1.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -1.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8563 1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 -0.4483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5518 1.0015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9488 -1.4635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7128 -2.1901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5161 0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 1.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9338 0.6383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5294 -3.0593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1586 -0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 -0.1596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1530 -1.6808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9170 -2.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 -1.3922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -0.3769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9114 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 -1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 -0.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7072 -3.2053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9432 -2.4787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5294 -3.2733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 1.9770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -0.2578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.0405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7296 0.8556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6279 0.7836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -1.2348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 -0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3101 -0.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 -4.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9842 -0.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 0.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 -2.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7184 -1.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -2.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7503 -0.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7615 1.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -1.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 -2.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1435 1.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 -3.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5199 0.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 -0.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5087 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5143 -0.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 14 13 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 24 2 1 6 0 0 0 24 22 1 0 0 0 0 25 3 1 6 0 0 0 25 20 1 0 0 0 0 26 4 1 6 0 0 0 27 5 1 1 0 0 0 28 16 1 0 0 0 0 28 21 2 0 0 0 0 29 17 2 0 0 0 0 29 21 1 0 0 0 0 30 23 2 0 0 0 0 30 28 1 0 0 0 0 31 20 1 0 0 0 0 32 12 1 6 0 0 0 33 24 1 0 0 0 0 33 26 1 0 0 0 0 34 31 1 0 0 0 0 35 26 1 0 0 0 0 36 27 1 0 0 0 0 37 27 1 0 0 0 0 38 34 1 0 0 0 0 41 6 1 6 0 0 0 41 22 1 0 0 0 0 41 37 1 0 0 0 0 42 7 1 1 0 0 0 42 36 1 0 0 0 0 42 39 1 0 0 0 0 43 8 1 6 0 0 0 43 32 1 0 0 0 0 43 35 1 0 0 0 0 42 44 1 6 0 0 0 45 29 1 0 0 0 0 46 30 1 0 0 0 0 47 46 2 0 0 0 0 48 9 1 0 0 0 0 48 10 1 0 0 0 0 31 48 1 6 0 0 0 49 18 1 0 0 0 0 49 23 1 0 0 0 0 49 47 1 0 0 0 0 50 19 1 0 0 0 0 50 35 1 0 0 0 0 50 40 1 0 0 0 0 51 33 2 0 0 0 0 34 52 1 1 0 0 0 53 36 2 0 0 0 0 54 39 2 0 0 0 0 55 40 2 0 0 0 0 56 11 1 0 0 0 0 41 56 1 1 0 0 0 57 25 1 0 0 0 0 57 38 1 0 0 0 0 58 32 1 0 0 0 0 58 39 1 0 0 0 0 37 59 1 6 0 0 0 38 59 1 6 0 0 0 60 40 1 0 0 0 0 60 43 1 0 0 0 0 24 61 1 1 0 0 0 25 62 1 1 0 0 0 26 63 1 1 0 0 0 27 64 1 6 0 0 0 31 65 1 1 0 0 0 32 66 1 1 0 0 0 34 67 1 6 0 0 0 35 68 1 1 0 0 0 37 69 1 1 0 0 0 38 70 1 1 0 0 0 M END > DB09308 > drugbank > [H][C@]12N(CCCCN3C=C(N=N3)C3=CC(N)=CC=C3)C(=O)O[C@]1(C)[C@@]([H])(CC)OC(=O)[C@@](C)(F)C(=O)[C@]([H])(C)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O)[C@@](C)(C[C@@]([H])(C)C(=O)[C@]2([H])C)OC > InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1 > IXXFZUPTQVDPPK-ZAWHAJPISA-N > C43H65FN6O10 > 845.0088 > 844.474620535 > 12 > 125 > 0.9880490572558421 > 90.80991002051533 > 0 > 2 > 0 > 0 > (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-tetradecahydro-1H-oxacyclotetradeca[4,3-d][1,3]oxazole-2,6,8,14-tetrone > 4.22 > 5.764390915999998 > -4.71 > 1 > 1 > 5 > 1 > 19.083827990385057 > 12.832539686528722 > 8.902569426296353 > 197.86999999999995 > 230.7346 > 11 > 0 > 1.67e-02 g/l > biotin > 0 > DB09308 > investigational > Solithromycin > Solithromycin $$$$