41316082 -OEChem-05052409062D 61 65 0 1 0 0 0 0 0999 V2000 4.9841 -4.0090 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2095 -2.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 2.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 0.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 -0.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 -1.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 -0.8871 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9843 -0.5450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9088 -0.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5819 -1.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 -2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 0.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9843 -2.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 3.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -2.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 4.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -0.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4457 -0.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -1.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -2.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 -1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 -1.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 -2.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4368 -3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 -2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 2.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -2.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7942 -3.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 2.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1328 3.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 4.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 0.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 1.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 1.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 0.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -0.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 51 1 0 0 0 0 5 28 1 0 0 0 0 5 33 1 0 0 0 0 6 28 2 0 0 0 0 8 7 1 1 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 36 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 19 23 2 0 0 0 0 19 28 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 45 1 0 0 0 0 22 27 2 0 0 0 0 22 46 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 47 1 0 0 0 0 25 32 1 0 0 0 0 25 48 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M CHG 1 7 1 M END > 41316082 > 1 > 695 > 6 > 2 > 6 > AAADceB6OQAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHwAQCAAADCzhmA4yDsPABkCIAqDSCACCCAAkIAAIiIEMDMgOJzaOtRuHeWjn8BGYuYf//f/ewQADAAAYAACCAAYAADAAAAAAAAAAAA== > ethyl 4-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-yl-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate > 4-[(S)-(4-fluorophenyl)-(4-morpholin-4-iumyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 4-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 4-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 4-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 4-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-yl-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C27H26FNO5/c1-3-33-27(31)21-16(2)34-26-20-7-5-4-6-19(20)25(30)23(22(21)26)24(29-12-14-32-15-13-29)17-8-10-18(28)11-9-17/h4-11,24,30H,3,12-15H2,1-2H3/p+1/t24-/m0/s1 > JSMIYSANCKIMND-DEOSSOPVSA-O > 5.1 > 464.18732612 > C27H27FNO5+ > 464.5 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)F)[NH+]5CCOCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)F)[NH+]5CCOCC5)C > 73.3 > 464.18732612 > 1 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 16 8 14 21 8 14 22 8 15 17 8 15 19 8 16 18 8 17 20 8 18 20 8 18 24 8 19 23 8 20 25 8 21 26 8 22 27 8 24 31 8 25 32 8 26 29 8 27 29 8 3 17 8 3 23 8 31 32 8 8 7 5 $$$$