Mrv1572004221604462D 76 78 0 0 1 0 999 V2000 -0.3978 9.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 2.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 7.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 1.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5066 7.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 8.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 4.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 5.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5528 3.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 5.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7458 4.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 5.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 4.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 7.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 3.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1470 6.6581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6839 4.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1938 3.4211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7260 7.1727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6641 8.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 7.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9810 6.3881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 5.7750 0.0000 C 0 0 1 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 -2.1434 6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 3.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 2.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 8.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 8.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 2.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 6.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 6.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 7.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9118 4.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 5.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 4.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 4.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 6.4866 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 -3.5724 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 5.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 7.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6141 5.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 6.6430 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 -0.0000 6.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 19 18 1 0 0 0 0 23 3 1 1 0 0 0 23 20 1 0 0 0 0 24 4 1 6 0 0 0 24 16 1 0 0 0 0 25 5 1 6 0 0 0 26 6 1 6 0 0 0 27 18 1 1 0 0 0 27 20 1 0 0 0 0 28 17 1 0 0 0 0 28 23 1 0 0 0 0 29 21 1 0 0 0 0 30 11 1 0 0 0 0 31 12 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 35 34 1 0 0 0 0 36 25 1 0 0 0 0 36 34 1 0 0 0 0 37 27 1 0 0 0 0 38 29 1 0 0 0 0 38 37 1 0 0 0 0 39 26 1 0 0 0 0 40 35 1 0 0 0 0 41 7 1 6 0 0 0 41 22 1 0 0 0 0 41 39 1 0 0 0 0 42 8 1 0 0 0 0 42 9 1 0 0 0 0 34 42 1 6 0 0 0 43 19 2 0 0 0 0 28 44 1 6 0 0 0 45 30 2 0 0 0 0 46 31 2 0 0 0 0 47 32 2 0 0 0 0 35 48 1 1 0 0 0 41 49 1 1 0 0 0 50 10 1 0 0 0 0 38 50 1 6 0 0 0 51 24 1 0 0 0 0 51 32 1 0 0 0 0 52 26 1 0 0 0 0 52 33 1 0 0 0 0 53 25 1 0 0 0 0 53 40 1 0 0 0 0 29 54 1 6 0 0 0 54 30 1 0 0 0 0 55 31 1 0 0 0 0 39 55 1 1 0 0 0 33 56 1 1 0 0 0 36 56 1 6 0 0 0 37 57 1 6 0 0 0 40 57 1 6 0 0 0 58 13 1 0 0 0 0 59 14 1 0 0 0 0 60 15 1 0 0 0 0 61 17 1 0 0 0 0 23 62 1 1 0 0 0 24 63 1 1 0 0 0 25 64 1 1 0 0 0 26 65 1 1 0 0 0 27 66 1 1 0 0 0 28 67 1 1 0 0 0 29 68 1 1 0 0 0 33 69 1 6 0 0 0 34 70 1 1 0 0 0 35 71 1 6 0 0 0 36 72 1 6 0 0 0 37 73 1 1 0 0 0 38 74 1 6 0 0 0 39 75 1 6 0 0 0 40 76 1 1 0 0 0 M END > CHEM018335 > chemdb > [H]\C1=C(\[H])/C(/[H])=C([H])/[C@]([H])(O)[C@]([H])(C)C[C@]([H])(CC=O)[C@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@@](C)(O)[C@@]([H])(OC(=O)CC)[C@]([H])(C)O3)[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]([H])(OC)[C@@]([H])(CC(=O)O[C@]([H])(C)C1)OC(=O)CC > InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1 > DMUAPQTXSSNEDD-QALJCMCCSA-N > C41H67NO15 > 813.979 > 813.451070461 > 13 > 124 > 87.119987077573 > 0 > 3 > 0 > 0 > (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl propanoate > 3.09 > 3.1853242103333326 > -3.94 > 1 > 3 > 1 > 13.820563182121983 > 12.709546840304089 > 7.895228159320169 > 206.04999999999993 > 206.51080000000007 > 14 > 0 > 9.35e-02 g/l > midecamycin > 0 > Midecamycin > 35457-80-8 $$$$