68820180 -OEChem-04162401522D 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 7.6506 11.3184 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 12.6631 5.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0932 7.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2675 8.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2988 5.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5916 4.0852 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 11.6474 7.2995 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 8.2017 6.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2831 7.0693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3703 7.4776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3859 6.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5603 6.8912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5759 5.4882 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 13.6787 4.4935 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 10.8374 6.7131 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 11.5446 8.2942 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 2.1336 4.1961 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 4.6531 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 6.5351 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 10.6318 8.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8217 8.1162 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 8.0989 7.9381 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 3.2315 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9089 8.5245 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 14.8491 6.8161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 7.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8882 6.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4965 7.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0737 5.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0603 4.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5277 3.8922 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 10.9011 6.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6591 7.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7697 8.8358 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 15.8010 6.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0468 8.6578 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 2.1336 3.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 6.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5598 6.1036 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 10.5680 9.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2558 8.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 3.4684 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 6.8782 8.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 8.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 7.7682 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 3.4241 0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2725 8.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4111 8.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 9.0267 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 35 1 0 0 0 0 2 38 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 71 1 0 0 0 0 8 26 1 0 0 0 0 8 80 1 0 0 0 0 9 23 2 0 0 0 0 10 44 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 29 1 0 0 0 0 13 31 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 36 1 0 0 0 0 15 44 1 0 0 0 0 15 46 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 30 1 0 0 0 0 24 33 1 0 0 0 0 25 32 1 0 0 0 0 25 35 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 39 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 34 2 0 0 0 0 29 67 1 0 0 0 0 30 38 2 0 0 0 0 30 70 1 0 0 0 0 31 41 1 0 0 0 0 31 72 1 0 0 0 0 32 37 2 0 0 0 0 32 73 1 0 0 0 0 33 40 2 0 0 0 0 33 74 1 0 0 0 0 34 36 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 44 1 0 0 0 0 37 45 1 0 0 0 0 38 40 1 0 0 0 0 39 47 2 0 0 0 0 39 48 1 0 0 0 0 40 77 1 0 0 0 0 41 42 2 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 43 45 2 0 0 0 0 43 81 1 0 0 0 0 45 82 1 0 0 0 0 46 50 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 47 49 1 0 0 0 0 48 51 2 0 0 0 0 48 85 1 0 0 0 0 49 52 2 0 0 0 0 49 86 1 0 0 0 0 50 87 1 0 0 0 0 50 88 1 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 > 68820180 > 1 > 1250 > 10 > 4 > 11 > AAADcfB/PAAGAAAAAAAAAAAAAAAAAWAAAAA8aMECAAAAAFgB1AAAHgIACAAADh7hmiY+xpMMFgCoAjV3VACCiCA1JyAI2CE+btgPN/LF95uOcShnxhXb6Yf8+O6PpABCKAALAABIAIRQABYAAAAAAAAAAA== > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-indolin-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methyl]benzamide;chloride > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-3-indolyl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridin-1-iumyl]methyl]benzamide;chloride > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide;chloride > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide;chloride > 4-chloranyl-3-[5-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-indol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide;chloride > 4-chloro-3-[5-chloro-1-(2,4-dimethoxybenzyl)-2-keto-3-methyl-indolin-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methyl]benzamide;chloride > InChI=1S/C39H42Cl2N3O9.ClH/c1-5-42(18-22-7-6-14-43(19-22)37-35(48)34(47)33(46)32(21-45)53-37)36(49)23-9-12-29(41)27(15-23)39(2)28-16-25(40)10-13-30(28)44(38(39)50)20-24-8-11-26(51-3)17-31(24)52-4;/h6-17,19,32-35,37,45-48H,5,18,20-21H2,1-4H3;1H/q+1;/p-1/t32-,33-,34+,35-,37?,39?;/m1./s1 > NJXIEVIEXMJOPI-MJSRVPQESA-M > 801.198663 > C39H42Cl3N3O9 > 803.1 > CCN(CC1=C[N+](=CC=C1)C2C(C(C(C(O2)CO)O)O)O)C(=O)C3=CC(=C(C=C3)Cl)C4(C5=C(C=CC(=C5)Cl)N(C4=O)CC6=C(C=C(C=C6)OC)OC)C.[Cl-] > CCN(CC1=C[N+](=CC=C1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)C3=CC(=C(C=C3)Cl)C4(C5=C(C=CC(=C5)Cl)N(C4=O)CC6=C(C=C(C=C6)OC)OC)C.[Cl-] > 153 > 801.198663 > 0 > 54 > 4 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 13 3 13 29 8 13 31 8 20 26 5 21 27 3 22 24 8 22 30 8 24 33 8 25 32 8 25 35 8 29 34 8 30 38 8 31 41 8 32 37 8 33 40 8 34 42 8 35 43 8 37 45 8 38 40 8 39 47 8 39 48 8 41 42 8 43 45 8 47 49 8 48 51 8 49 52 8 16 5 5 51 52 8 17 6 6 18 7 6 $$$$