657137 -OEChem-10051719463D 47 49 0 1 0 0 0 0 0999 V2000 -0.0299 -0.0210 -0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.8129 -0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 2.7244 -0.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 -2.4964 0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -0.0850 -2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -2.9716 -0.2783 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.6917 0.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8335 1.5902 2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5939 3.1170 -0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8324 -0.5110 0.5957 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5035 -0.9875 -0.7798 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.9034 0.0179 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6438 0.1504 1.1244 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7813 1.6256 -0.9897 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2347 -0.1575 -0.0306 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7510 -1.5710 -0.2995 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8437 0.7041 -1.6035 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1723 -1.7546 0.2331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0808 -0.6069 -0.2076 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4272 0.7460 0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4214 -0.2511 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 1.0707 2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5572 -1.4873 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 1.9041 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5915 -1.7562 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 1.6783 0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -0.6607 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1575 2.0417 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1252 -0.0145 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 -1.7986 -1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 1.2879 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 -1.8535 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 -0.7063 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2955 0.8959 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 0.5225 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 1.9026 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 -1.8837 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3799 1.8436 -1.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2538 1.9362 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 2.4246 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 -2.4670 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 -2.3155 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 0.5223 -3.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6239 -3.0519 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1358 -0.5973 1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 0.8401 3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 3.0748 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 40 1 0 0 0 0 4 16 1 0 0 0 0 4 42 1 0 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 6 18 1 0 0 0 0 6 44 1 0 0 0 0 7 19 1 0 0 0 0 7 45 1 0 0 0 0 8 22 1 0 0 0 0 8 46 1 0 0 0 0 9 24 1 0 0 0 0 9 47 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 11 21 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 22 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 M END > DB02017 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CSXOUJBOYXGFCL-OFKZETBZSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)N3C=CN=C3[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1 > CSXOUJBOYXGFCL-OFKZETBZSA-N > C14H22N2O9 > 362.3325 > 362.132530312 > 10 > 47 > 0.016756122921590934 > 33.506082435949835 > 1 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.70 > -4.2371405840000005 > -0.97 > 0 > 0 > 3 > 0 > 12.514144491310995 > 11.967272875917955 > 5.2319753754043905 > 177.89 > 78.1295 > 4 > 0 > 3.86e+01 g/l > tetrahydrofolic acid > 0 $$$$