Mrv1652306031608182D 67 69 0 0 1 0 999 V2000 -7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0454 3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 -2.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7124 2.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4302 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7158 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4302 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3394 1.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5757 4.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2427 1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 -1.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 0 0 0 18 2 1 6 0 0 0 18 16 1 0 0 0 0 19 3 1 6 0 0 0 19 15 1 0 0 0 0 20 4 1 1 0 0 0 21 5 1 6 0 0 0 22 6 1 1 0 0 0 23 7 1 6 0 0 0 24 15 1 0 0 0 0 25 14 1 6 0 0 0 26 17 1 0 0 0 0 27 18 1 0 0 0 0 27 20 1 0 0 0 0 28 24 1 0 0 0 0 29 21 1 0 0 0 0 29 22 1 0 0 0 0 30 20 1 0 0 0 0 31 23 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 28 1 0 0 0 0 35 8 1 6 0 0 0 35 16 1 0 0 0 0 35 32 1 0 0 0 0 36 9 1 6 0 0 0 36 17 1 0 0 0 0 36 31 1 0 0 0 0 37 10 1 6 0 0 0 37 25 1 0 0 0 0 37 30 1 0 0 0 0 38 27 2 0 0 0 0 39 11 1 0 0 0 0 39 12 1 0 0 0 0 24 39 1 6 0 0 0 28 40 1 1 0 0 0 30 41 1 1 0 0 0 31 42 1 1 0 0 0 43 33 2 0 0 0 0 35 44 1 1 0 0 0 37 45 1 1 0 0 0 46 38 1 0 0 0 0 47 13 1 0 0 0 0 36 47 1 1 0 0 0 48 19 1 0 0 0 0 48 34 1 0 0 0 0 49 23 1 0 0 0 0 49 26 1 0 0 0 0 50 25 1 0 0 0 0 50 33 1 0 0 0 0 26 51 1 1 0 0 0 29 51 1 6 0 0 0 32 52 1 6 0 0 0 34 52 1 1 0 0 0 18 53 1 6 0 0 0 19 54 1 1 0 0 0 20 55 1 6 0 0 0 21 56 1 1 0 0 0 22 57 1 6 0 0 0 23 58 1 1 0 0 0 24 59 1 1 0 0 0 25 60 1 1 0 0 0 26 61 1 6 0 0 0 28 62 1 6 0 0 0 29 63 1 1 0 0 0 30 64 1 6 0 0 0 31 65 1 6 0 0 0 32 66 1 1 0 0 0 34 67 1 1 0 0 0 M END > CHEM044500 > chemdb > [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(C)[C@]([H])(O[C@@]3([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O3)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@@](C)(O)[C@]([H])(O)[C@@]([H])(C)\C(=N\O)[C@]([H])(C)C[C@@]2(C)O)O1 > InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27+/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 > KYTWXIARANQMCA-ZTILBQITSA-N > C37H68N2O13 > 748.952 > 748.472140258 > 14 > 120 > 80.1515641350998 > 0 > 6 > 0 > 0 > (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one > 2.69 > 2.191649985042823 > -3.45 > 1 > 3 > 1 > 12.469818050967458 > 9.819747493902442 > 8.992712261025032 > 209.42999999999995 > 189.85880000000006 > 7 > 0 > 2.64e-01 g/l > (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-10-(hydroxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one > 0 > Erythromycin, 9-oxime > 13127-18-9 $$$$