40785832 -OEChem-05032420532D 61 65 0 1 0 0 0 0 0999 V2000 9.2095 -2.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 1.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5426 0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 -0.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 -1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 -1.3200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9843 -0.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5819 -2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9088 -1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 -3.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 -1.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9446 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6766 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 2.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9843 -2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -1.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7945 3.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 -2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 -3.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 1.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 3.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6926 3.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9994 0.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 -0.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -1.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -2.7346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4457 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6967 -0.5637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 -3.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4368 -3.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 -2.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9501 -1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 -2.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 -1.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 1.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 3.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7942 -4.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3642 -2.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1741 -4.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 1.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 1.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1328 3.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6902 4.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 0.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8716 0.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 0.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0206 -0.5170 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 50 1 0 0 0 0 4 27 1 0 0 0 0 4 32 1 0 0 0 0 5 27 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 34 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 11 1 0 0 0 0 8 36 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 14 1 0 0 0 0 10 15 2 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 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 23 2 0 0 0 0 18 22 2 0 0 0 0 18 27 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 21 26 2 0 0 0 0 21 45 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 46 1 0 0 0 0 24 31 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 28 51 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 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M CHG 1 6 1 M END > 40785832 > 1 > 661 > 5 > 2 > 6 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHgAQCAAADCzhmAYyDsPABkCIAqDSCACCCAAkIAAIiIEMDMgOJzaOtRuHeWjn8BGYuYf//f/ewQADAAAYAACCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]benzo[g]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(R)-4-morpholin-4-iumyl(phenyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 2-methyl-4-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C27H27NO5/c1-3-32-27(30)21-17(2)33-26-20-12-8-7-11-19(20)25(29)23(22(21)26)24(18-9-5-4-6-10-18)28-13-15-31-16-14-28/h4-12,24,29H,3,13-16H2,1-2H3/p+1/t24-/m1/s1 > CYCUGYXZROHKEM-XMMPIXPASA-O > 5 > 446.19674799 > C27H28NO5+ > 446.5 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=CC=C4)[NH+]5CCOCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@@H](C4=CC=CC=C4)[NH+]5CCOCC5)C > 73.3 > 446.19674799 > 1 > 33 > 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 23 8 18 22 8 19 24 8 2 16 8 2 22 8 20 25 8 21 26 8 23 30 8 24 31 8 25 28 8 26 28 8 30 31 8 7 6 6 $$$$