41316073 -OEChem-05042400332D 64 68 0 1 0 0 0 0 0999 V2000 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 1 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 8.9088 -0.7134 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 8.2247 -2.5928 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 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 6.9843 -2.2772 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 4.4147 1.4398 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 4.9842 -2.2769 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 5.4842 -3.1430 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 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 4.9841 -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 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 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 7.6878 -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 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 7.6043 -2.2772 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 6.7942 -3.6801 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 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 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 4.4472 -3.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -4.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -4.3191 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 11 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 51 1 0 0 0 0 4 28 1 0 0 0 0 4 33 1 0 0 0 0 5 28 2 0 0 0 0 7 6 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 18 22 2 0 0 0 0 18 28 1 0 0 0 0 19 26 2 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 29 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 30 1 0 0 0 0 25 49 1 0 0 0 0 26 31 1 0 0 0 0 26 50 1 0 0 0 0 27 32 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M CHG 1 6 1 M END > 41316073 > 1 > 688 > 5 > 2 > 6 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHgAQCAAADCzhmAYyDsPABkCIAqDSCACCCAAkIAAIiIEMDMgOJzaOtRuHeWjn8BGYuYf//f/ewQADAAAYAACCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(R)-(4-methylphenyl)-(4-morpholin-4-iumyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-2-methyl-4-[(R)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-2-methyl-4-[(R)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 2-methyl-4-[(R)-(4-methylphenyl)-morpholin-4-ium-4-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C28H29NO5/c1-4-33-28(31)22-18(3)34-27-21-8-6-5-7-20(21)26(30)24(23(22)27)25(29-13-15-32-16-14-29)19-11-9-17(2)10-12-19/h5-12,25,30H,4,13-16H2,1-3H3/p+1/t25-/m1/s1 > IJYZTZLQIZHYNB-RUZDIDTESA-O > 5.4 > 460.21239806 > C28H30NO5+ > 460.5 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)C)[NH+]5CCOCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@@H](C4=CC=C(C=C4)C)[NH+]5CCOCC5)C > 73.3 > 460.21239806 > 1 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 15 8 13 20 8 13 21 8 14 16 8 14 18 8 15 17 8 16 19 8 17 19 8 17 25 8 18 22 8 19 26 8 2 16 8 2 22 8 20 23 8 21 24 8 23 27 8 24 27 8 25 30 8 26 31 8 30 31 8 7 6 6 $$$$