67256803 -OEChem-04262406212D 64 67 0 1 0 0 0 0 0999 V2000 7.0121 6.1371 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 4.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 5.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 6.7235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 13.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 14.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.5053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 9.9079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3732 11.9298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 4.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5287 5.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5259 4.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4792 5.3726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 5.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 11.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 12.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 11.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 10.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 12.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9998 10.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 11.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 9.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 11.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7379 10.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 13.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 5.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 6.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 5.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 6.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 6.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 5.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 7.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 13.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 12.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 12.8019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6198 10.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 6.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 4.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6088 9.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 12.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 9.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 11.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 9.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 12.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 11.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 14.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 18 3 1 6 0 0 0 3 45 1 0 0 0 0 19 4 1 6 0 0 0 4 46 1 0 0 0 0 5 22 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 9 38 1 0 0 0 0 9 64 1 0 0 0 0 10 38 2 0 0 0 0 20 11 1 1 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 24 2 0 0 0 0 12 25 1 0 0 0 0 13 23 2 0 0 0 0 13 27 1 0 0 0 0 14 26 1 0 0 0 0 14 27 2 0 0 0 0 15 26 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 31 1 0 0 0 0 16 33 1 0 0 0 0 16 57 1 0 0 0 0 32 17 1 1 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 1 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 29 32 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 31 35 2 0 0 0 0 32 38 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 36 1 0 0 0 0 34 58 1 0 0 0 0 35 37 1 0 0 0 0 35 59 1 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 M END > 67256803 > 1 > 725 > 14 > 8 > 7 > AAADceB7vAIAAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHgAQCCAADDzhnwY9+P/NlxCoQzb3bICCgC0xEqAJ2aG4dJiLePLA2dGeZAhvkALbyCf4+fKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate > [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid > [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;(2S)-2-amino-3-(1H-indol-3-yl)propionic acid > InChI=1S/C11H12N2O2.C10H14N5O7P/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h1-4,6,9,13H,5,12H2,(H,14,15);2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t9-;4-,6-,7-,10-/m01/s1 > DSZQGYGXKPKKRO-IEMOAEIGSA-N > 551.15296243 > C21H26N7O9P > 551.4 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N > 265 > 551.15296243 > 0 > 38 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 20 11 5 11 23 8 11 24 8 12 24 8 12 25 8 13 23 8 13 27 8 14 26 8 14 27 8 16 31 8 16 33 8 32 17 5 21 22 5 23 25 8 25 26 8 28 30 8 28 33 8 18 3 6 30 31 8 30 34 8 31 35 8 34 36 8 35 37 8 36 37 8 19 4 6 $$$$