69418121 -OEChem-04192416572D 65 68 0 1 0 0 0 0 0999 V2000 7.8781 5.8271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 4.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 4.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0873 6.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 5.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 6.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4645 5.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 6.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 13.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 14.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 2.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 1.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 9.5979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 11.6198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 4.5653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3947 5.3733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3919 3.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3452 5.0626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1552 5.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8492 11.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 12.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 10.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 9.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1384 12.3641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4328 10.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 11.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 9.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 10.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 9.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 13.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 5.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7825 5.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 3.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 4.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 6.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 6.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 5.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 6.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1393 12.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 12.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7450 12.4920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2541 6.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2114 4.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 10.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 9.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 12.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 8.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 11.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 9.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4129 11.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 11.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6201 14.1102 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 9 2 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 19 3 1 6 0 0 0 3 46 1 0 0 0 0 20 4 1 6 0 0 0 4 47 1 0 0 0 0 5 23 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 8 27 2 0 0 0 0 10 39 1 0 0 0 0 10 65 1 0 0 0 0 11 39 2 0 0 0 0 21 12 1 1 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 24 1 0 0 0 0 13 28 1 0 0 0 0 13 49 1 0 0 0 0 14 25 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 2 0 0 0 0 16 28 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 32 1 0 0 0 0 17 34 1 0 0 0 0 17 58 1 0 0 0 0 33 18 1 1 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 1 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 2 0 0 0 0 30 33 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 36 2 0 0 0 0 33 39 1 0 0 0 0 33 54 1 0 0 0 0 34 57 1 0 0 0 0 35 37 1 0 0 0 0 35 59 1 0 0 0 0 36 38 1 0 0 0 0 36 60 1 0 0 0 0 37 38 2 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > 69418121 > 1 > 843 > 12 > 9 > 7 > AAADceB7vAIAAAAAAAAAAAAAAAAAAWLEgAAwQAAAAAAAAFgB/AAAHgAQCCAADDzhngY9+PfNlxCoQzf3fICCgC03EqAJ2aG4dNiLePrA2bGeYIhvkALbyGf4+fKOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-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-(2-amino-6-oxo-3H-purin-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-(2-amino-6-oxo-3H-purin-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-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate > (2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid;[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate > (2S)-2-amino-3-(1H-indol-3-yl)propionic acid;[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate > InChI=1S/C11H12N2O2.C10H14N5O8P/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h1-4,6,9,13H,5,12H2,(H,14,15);2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t9-;3-,5-,6-,9-/m01/s1 > CEHNNQFOZADQHK-XSZMRLDPSA-N > 567.14787705 > C21H26N7O10P > 567.4 > C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N > C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N > 281 > 567.14787705 > 0 > 39 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 12 5 12 24 8 12 25 8 13 24 8 13 28 8 14 25 8 14 26 8 15 27 8 15 28 8 17 32 8 17 34 8 33 18 5 22 23 5 24 26 8 26 27 8 29 31 8 29 34 8 19 3 6 31 32 8 31 35 8 32 36 8 35 37 8 36 38 8 37 38 8 20 4 6 $$$$