68821765 -OEChem-04252423502D 96100 0 1 0 0 0 0 0999 V2000 3.7403 7.9903 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 6.1961 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 12.4161 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 14.2831 7.0693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9747 10.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3546 8.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8004 9.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1088 6.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 5.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 1.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 0.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5603 6.8912 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9459 4.3914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 6.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0775 9.0587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2675 8.4723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9904 8.6504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3703 7.4776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.0932 7.6557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9459 6.0009 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9997 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 4.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 6.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0060 7.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 6.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 6.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6474 7.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 4.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6688 6.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6631 5.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8374 6.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 6.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 5.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 4.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9245 7.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8530 5.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 6.9434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9402 5.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 8.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 6.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 7.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 2.9028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0989 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5797 9.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2037 9.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9266 9.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8043 7.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1569 7.0389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6244 7.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1570 7.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 7.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 7.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0485 6.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8035 3.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 6.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4769 10.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2909 9.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3664 8.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5837 7.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 3.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7325 5.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2290 5.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7307 4.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 7.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4793 7.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 4.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 7.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4380 5.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3994 8.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6748 5.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8782 8.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1782 5.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 3.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7156 8.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0351 8.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4822 7.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 2.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7779 0.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7345 1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 0.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 37 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 16 5 1 1 0 0 0 5 68 1 0 0 0 0 17 6 1 6 0 0 0 6 69 1 0 0 0 0 18 7 1 6 0 0 0 7 70 1 0 0 0 0 8 26 1 0 0 0 0 8 82 1 0 0 0 0 9 23 2 0 0 0 0 10 45 2 0 0 0 0 11 47 1 0 0 0 0 11 53 1 0 0 0 0 12 52 1 0 0 0 0 12 54 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 33 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 28 1 0 0 0 0 15 40 1 0 0 0 0 15 42 1 0 0 0 0 15 84 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 17 56 1 0 0 0 0 18 20 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 20 26 1 1 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 25 34 2 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 38 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 37 2 0 0 0 0 29 67 1 0 0 0 0 30 35 2 0 0 0 0 30 71 1 0 0 0 0 31 39 2 0 0 0 0 31 72 1 0 0 0 0 32 36 2 0 0 0 0 32 73 1 0 0 0 0 33 41 1 0 0 0 0 33 74 1 0 0 0 0 34 44 1 0 0 0 0 35 40 1 0 0 0 0 35 43 1 0 0 0 0 36 45 1 0 0 0 0 36 46 1 0 0 0 0 37 39 1 0 0 0 0 38 47 2 0 0 0 0 38 48 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 43 2 0 0 0 0 41 78 1 0 0 0 0 42 45 1 0 0 0 0 42 49 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 44 46 2 0 0 0 0 44 81 1 0 0 0 0 46 83 1 0 0 0 0 47 50 1 0 0 0 0 48 51 2 0 0 0 0 48 85 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 49 88 1 0 0 0 0 50 52 2 0 0 0 0 50 89 1 0 0 0 0 51 52 1 0 0 0 0 51 90 1 0 0 0 0 53 91 1 0 0 0 0 53 92 1 0 0 0 0 53 93 1 0 0 0 0 54 94 1 0 0 0 0 54 95 1 0 0 0 0 54 96 1 0 0 0 0 M CHG 2 3 -1 13 1 M END > 68821765 > 1 > 1250 > 11 > 5 > 12 > AAADcfB/PAAGAAAAAAAAAAAAAAAAAWAAAAA8aMECAAAAAFgB1AAAHgIQCAAADj7hmiY+xpPMFgCoArV3VACCiCA1JyAI2KG+btgPN/LF97uOcShn1hXb6Yf8+O6PpABCKAALAABIAIRQABYAAAAAAAAAAA== > 5-chloro-3-[2-chloro-5-[2-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methylamino]propanoyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-indolin-2-one;chloride > 5-chloro-3-[2-chloro-5-[1-oxo-2-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridin-1-iumyl]methylamino]propyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-indolone;chloride > 5-chloro-3-[2-chloro-5-[2-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methylamino]propanoyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one;chloride > 5-chloro-3-[2-chloro-5-[2-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methylamino]propanoyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one;chloride > 5-chloranyl-3-[2-chloranyl-5-[2-[[1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyridin-1-ium-3-yl]methylamino]propanoyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-indol-2-one;chloride > 5-chloro-3-[2-chloro-5-[2-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methylamino]propanoyl]phenyl]-1-(2,4-dimethoxybenzyl)-3-methyl-oxindole;chloride > InChI=1S/C39H42Cl2N3O9.ClH/c1-21(42-17-22-6-5-13-43(18-22)37-36(49)35(48)34(47)32(20-45)53-37)33(46)23-8-11-29(41)27(14-23)39(2)28-15-25(40)9-12-30(28)44(38(39)50)19-24-7-10-26(51-3)16-31(24)52-4;/h5-16,18,21,32,34-37,42,45,47-49H,17,19-20H2,1-4H3;1H/q+1;/p-1/t21?,32-,34-,35+,36-,37?,39?;/m1./s1 > AYEGTGSBPREJAA-XAEGNPTOSA-M > 801.198663 > C39H42Cl3N3O9 > 803.1 > CC(C(=O)C1=CC(=C(C=C1)Cl)C2(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=C(C=C(C=C4)OC)OC)C)NCC5=C[N+](=CC=C5)C6C(C(C(C(O6)CO)O)O)O.[Cl-] > CC(C(=O)C1=CC(=C(C=C1)Cl)C2(C3=C(C=CC(=C3)Cl)N(C2=O)CC4=C(C=C(C=C4)OC)OC)C)NCC5=C[N+](=CC=C5)C6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O.[Cl-] > 162 > 801.198663 > 0 > 54 > 4 > 3 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 13 3 13 30 8 13 33 8 20 26 5 21 27 3 22 24 8 22 29 8 24 31 8 25 32 8 25 34 8 29 37 8 30 35 8 31 39 8 32 36 8 33 41 8 34 44 8 35 43 8 36 46 8 37 39 8 38 47 8 38 48 8 41 43 8 42 49 3 44 46 8 47 50 8 48 51 8 16 5 5 50 52 8 51 52 8 17 6 6 18 7 6 $$$$