448235 -OEChem-11061915583D 59 59 0 1 0 0 0 0 0999 V2000 0.6296 -2.9937 1.2786 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3603 2.7409 -0.9013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -0.4656 -1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 -2.9401 -1.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 -1.8719 -0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 -1.3378 -1.7678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 -0.9657 2.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -0.8532 -0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 -0.0742 -0.6452 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 -0.1018 0.1536 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7702 1.3983 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 2.2493 0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2042 2.1874 0.4021 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4342 -1.1376 -0.0415 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2352 -2.0310 0.3136 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7544 -1.9049 -0.2503 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8108 0.7876 0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0915 -0.5712 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -1.0694 -0.7409 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9374 -1.2251 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 2.8044 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.2441 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 1.4690 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 3.6463 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5099 3.6182 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 2.5305 1.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -4.1328 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 -0.3594 1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 1.6243 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 1.7087 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 3.2909 0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 1.9612 1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7841 2.8189 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5719 -0.3737 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 -2.5449 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -2.4091 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6145 0.2907 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8974 0.8638 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6323 -1.0912 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 -0.8582 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -0.3787 -1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2629 0.1196 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9841 1.5355 -1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9976 3.6429 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 4.6006 0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 3.8713 -1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 3.1227 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 3.8455 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 3.0586 -0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5812 4.5676 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 2.0157 2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 1.9523 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4771 3.4760 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 0.0929 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 -3.5397 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 -2.5847 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -4.8238 2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -4.6439 0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -3.8579 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 44 1 0 0 0 0 3 14 1 0 0 0 0 3 54 1 0 0 0 0 4 16 1 0 0 0 0 4 55 1 0 0 0 0 5 19 1 0 0 0 0 5 56 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > DB03396 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FVBBTOIQETYGOA-SDNORSGYSA-N/SDF?record_type=3d > [H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C > InChI=1S/C18H32N2O7/c1-18(2,3)8-7-12(22)13(23)14(24)15(27-4)17(26)20-11-6-5-10(21)9-19-16(11)25/h7-8,10-15,21-24H,5-6,9H2,1-4H3,(H,19,25)(H,20,26)/b8-7+/t10-,11+,12-,13+,14-,15-/m1/s1 > FVBBTOIQETYGOA-SDNORSGYSA-N > C18H32N2O7 > 388.4559 > 388.220951388 > 7 > 59 > 41.335626878575376 > 1 > 6 > 0 > 0 > (2R,3R,4S,5R,6E)-3,4,5-trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxoazepan-3-yl]-2-methoxy-8,8-dimethylnon-6-enamide > -0.69 > -1.6281270709999998 > -1.55 > 0 > 1 > 0 > 12.86000244049052 > 12.15163223674482 > -2.8533535134317614 > 148.35 > 97.96200000000002 > 8 > 0 > 1.09e+01 g/l > 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium > 0 $$$$