42427882 -OEChem-05112409472D 65 69 0 1 0 0 0 0 0999 V2000 9.2095 -1.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 -3.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 -0.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 -0.4540 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9843 -0.1119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5819 -1.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9088 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 -2.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 -1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 2.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 2.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 -1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 3.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 -2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 3.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 4.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 1.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -4.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 0.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 0.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -1.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -1.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4457 0.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 0.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 -2.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4368 -2.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 -1.3564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6044 -1.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1742 -0.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 2.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -3.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -1.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 4.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 1.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 2.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 1.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1328 4.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 5.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 1.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 -4.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 -4.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0213 -4.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 1.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 0.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 0.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 52 1 0 0 0 0 4 28 1 0 0 0 0 4 33 1 0 0 0 0 5 29 1 0 0 0 0 5 34 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 36 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 12 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 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 27 2 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 32 1 0 0 0 0 27 51 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 35 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M CHG 1 7 1 M END > 42427882 > 1 > 706 > 6 > 2 > 7 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHgAQCAAADCzhmAYyDsPABkCIAqDSCACCCAAkIAAIiIEODMgOJzaOtRuHeWjn8BGYuYf//f/e4QADAAAYAADCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-benzo[g]benzofuran-3-carboxylate > 5-hydroxy-4-[(S)-(4-methoxyphenyl)-(4-morpholin-4-iumyl)methyl]-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-4-[(S)-(4-methoxyphenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C28H29NO6/c1-4-34-28(31)22-17(2)35-27-21-8-6-5-7-20(21)26(30)24(23(22)27)25(29-13-15-33-16-14-29)18-9-11-19(32-3)12-10-18/h5-12,25,30H,4,13-16H2,1-3H3/p+1/t25-/m0/s1 > SCFGEGUTUOYCPH-VWLOTQADSA-O > 5 > 476.20731268 > C28H30NO6+ > 476.5 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)OC)[NH+]5CCOCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)OC)[NH+]5CCOCC5)C > 82.6 > 476.20731268 > 1 > 35 > 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 2 17 8 2 23 8 20 27 8 21 25 8 22 26 8 24 31 8 25 29 8 26 29 8 27 32 8 31 32 8 8 7 5 $$$$