5484731 -OEChem-04232403222D 60 65 0 1 0 0 0 0 0999 V2000 8.7860 -0.0879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0277 0.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 3.8169 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5144 1.4392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5144 2.3903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6907 2.8659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3380 0.9637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6356 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9593 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1617 1.4392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3380 2.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1617 2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 4.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.9629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.9629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.9629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 3.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2365 3.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 0.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 1.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 2.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 3.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 2.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 1.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 3.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 2.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5065 1.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5769 4.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 5.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3914 4.9549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5065 -0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5646 1.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 20 2 1 6 0 0 0 2 51 1 0 0 0 0 3 26 1 0 0 0 0 28 3 1 1 0 0 0 4 28 1 0 0 0 0 4 32 1 0 0 0 0 29 5 1 6 0 0 0 5 57 1 0 0 0 0 30 6 1 1 0 0 0 6 58 1 0 0 0 0 31 7 1 6 0 0 0 7 59 1 0 0 0 0 8 33 1 0 0 0 0 8 60 1 0 0 0 0 9 33 2 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 1 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 34 1 1 0 0 0 13 17 1 0 0 0 0 13 35 1 6 0 0 0 14 20 1 0 0 0 0 14 36 1 1 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 26 2 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 1 0 0 0 32 56 1 0 0 0 0 M END > 5484731 > 1 > 839 > 10 > 5 > 3 > AAADceB6PAAAAAAAAAAAAAAAAAAAASAAAAA8aIECAAAWAEjBAAAAHgAACAAADzzxmAcyDoMABgCIAiDSCAICCAAgIAAIiAFOiIgdNjaEsR+meCKl4BGPuAf6/P9PoAABAAAYQADQAAaAADSAAAAAAAAAAA== > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-3-methyl-7-oxidanyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1 > WAEXKFONHRHFBZ-ZXDZBKESSA-N > -3 > 461.16858144 > C23H27NO9 > 461.5 > CN1CCC23C4C1CC5=C2C(=C(C=C5)OC6C(C(C(C(O6)C(=O)O)O)O)O)OC3C(C=C4)O > CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3[C@H](C=C4)O > 149 > 461.16858144 > 0 > 33 > 10 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 12 34 5 13 35 6 14 36 5 16 19 8 16 22 8 19 24 8 20 2 6 22 26 8 24 27 8 26 27 8 28 3 5 32 33 5 29 5 6 30 6 5 31 7 6 $$$$