68820186 -OEChem-05052418582D 95100 0 1 0 0 0 0 0999 V2000 5.3387 3.3405 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5464 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.2615 1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6916 3.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8659 3.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8972 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1900 -0.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0928 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -3.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 -4.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2458 2.6498 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5443 -0.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8001 2.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8815 2.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9687 2.8278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9843 1.4248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1587 2.2414 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1743 0.8384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5443 1.3511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3543 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2771 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2369 2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4358 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 3.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5229 2.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2515 2.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7129 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -1.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2302 4.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4201 3.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 3.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 1.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9744 3.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 3.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -2.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -1.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 -3.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5073 3.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 -3.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -4.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -3.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 2.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4709 3.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4866 1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0949 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6721 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6587 -0.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1261 -0.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 2.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 2.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6469 2.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -1.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -0.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4995 1.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2575 2.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3681 4.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3994 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6452 4.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3653 1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1582 1.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1664 4.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 3.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9978 4.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2537 -1.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4766 3.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4264 3.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1010 3.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -1.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 -4.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8709 3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0095 4.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1437 4.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 -2.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1976 -4.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 -4.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 -3.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 -3.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 -3.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 -4.5865 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 3 18 1 0 0 0 0 3 19 1 0 0 0 0 15 4 1 1 0 0 0 4 67 1 0 0 0 0 16 5 1 6 0 0 0 5 68 1 0 0 0 0 17 6 1 1 0 0 0 6 70 1 0 0 0 0 7 25 1 0 0 0 0 7 80 1 0 0 0 0 8 22 2 0 0 0 0 9 43 2 0 0 0 0 10 46 1 0 0 0 0 10 52 1 0 0 0 0 11 51 1 0 0 0 0 11 53 1 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 12 30 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 27 1 0 0 0 0 14 35 1 0 0 0 0 14 43 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 54 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 57 1 0 0 0 0 19 25 1 1 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 21 23 2 0 0 0 0 21 29 1 0 0 0 0 23 32 1 0 0 0 0 24 31 1 0 0 0 0 24 34 2 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 38 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 33 2 0 0 0 0 28 66 1 0 0 0 0 29 37 2 0 0 0 0 29 69 1 0 0 0 0 30 40 1 0 0 0 0 30 71 1 0 0 0 0 31 36 2 0 0 0 0 31 72 1 0 0 0 0 32 39 2 0 0 0 0 32 73 1 0 0 0 0 33 35 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 43 1 0 0 0 0 36 44 1 0 0 0 0 37 39 1 0 0 0 0 38 46 2 0 0 0 0 38 47 1 0 0 0 0 39 76 1 0 0 0 0 40 41 2 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 42 44 2 0 0 0 0 42 79 1 0 0 0 0 44 81 1 0 0 0 0 45 49 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 48 1 0 0 0 0 47 50 2 0 0 0 0 47 84 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 51 1 0 0 0 0 50 89 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 52 92 1 0 0 0 0 53 93 1 0 0 0 0 53 94 1 0 0 0 0 53 95 1 0 0 0 0 M CHG 1 12 1 M END > 68820186 > 1 > 1250 > 9 > 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,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methyl]benzamide > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-3-indolyl]-N-ethyl-N-[[1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3-pyridin-1-iumyl]methyl]benzamide > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide > 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide > 4-chloranyl-3-[5-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-indol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide > 4-chloro-3-[5-chloro-1-(2,4-dimethoxybenzyl)-2-keto-3-methyl-indolin-3-yl]-N-ethyl-N-[[1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]pyridin-1-ium-3-yl]methyl]benzamide > InChI=1S/C39H42Cl2N3O9/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/q+1/t32-,33+,34+,35-,37?,39?/m1/s1 > TZTUVXZRSBYTKC-LWDATMKWSA-N > 3.9 > 766.2298103 > C39H42Cl2N3O9+ > 767.7 > 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 > 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 > 153 > 766.2298103 > 1 > 53 > 4 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 12 3 12 28 8 12 30 8 19 25 5 20 26 3 21 23 8 21 29 8 23 32 8 24 31 8 24 34 8 28 33 8 29 37 8 30 40 8 31 36 8 32 39 8 33 41 8 34 42 8 36 44 8 37 39 8 38 46 8 38 47 8 15 4 5 40 41 8 42 44 8 46 48 8 47 50 8 48 51 8 16 5 6 50 51 8 17 6 5 $$$$