70443889 -OEChem-03282409272D 42 44 0 1 0 0 0 0 0999 V2000 4.0384 0.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5781 1.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 2.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 3.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4334 0.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5781 1.2109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.0209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0401 1.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7969 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7112 0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 2.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 1.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6043 2.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3502 -0.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -0.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1579 0.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 0.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 2.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 1.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 1.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9091 3.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0724 -0.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -0.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 3.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 12 2 1 1 0 0 0 2 33 1 0 0 0 0 13 3 1 1 0 0 0 3 35 1 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 20 1 0 0 0 0 5 39 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 21 1 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 22 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 17 1 6 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 19 34 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 23 40 1 0 0 0 0 M END > 70443889 > 1 > 418 > 9 > 5 > 5 > AAADceBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACByhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACHw8KcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-hydroxypropyl)tetrahydrofuran-3,4-diol > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-hydroxypropyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-oxidanylpropyl)oxolane-3,4-diol > (2R,3R,4S,5R)-2-adenin-9-yl-2-(3-hydroxypropyl)-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C13H19N5O5/c14-11-8-12(16-5-15-11)18(6-17-8)13(2-1-3-19)10(22)9(21)7(4-20)23-13/h5-7,9-10,19-22H,1-4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 > KUWFXUUTRPRALV-QYVSTXNMSA-N > -2.1 > 325.13861872 > C13H19N5O5 > 325.32 > C1=NC(=C2C(=N1)N(C=N2)C3(C(C(C(O3)CO)O)O)CCCO)N > C1=NC(=C2C(=N1)N(C=N2)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)CCCO)N > 160 > 325.13861872 > 0 > 23 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 5 14 17 6 18 21 8 12 2 5 21 22 8 13 3 5 6 18 8 6 19 8 7 19 8 7 21 8 8 18 8 8 23 8 9 22 8 9 23 8 $$$$