25495 -OEChem-10061700223D 68 72 0 1 0 0 0 0 0999 V2000 0.1960 3.1470 0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 0.0395 -0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -0.1341 0.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 2.6230 -1.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 2.0362 0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 2.0540 -0.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -1.0751 1.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 -1.4260 -1.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 3.1468 1.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 3.5551 -1.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -2.3710 -2.8674 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -4.5609 0.7686 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6133 0.1976 0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.8590 -1.2469 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 0.9451 0.4541 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8996 0.9445 0.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9389 2.4047 0.2047 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3462 2.2766 0.6945 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1981 2.8347 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4743 2.9246 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -0.9297 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 -1.2684 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 2.2958 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -1.8126 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 2.4918 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -2.3200 0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5389 1.3948 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 1.4931 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 -2.8732 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 -2.0904 1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 -1.6056 -1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 -3.5611 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4551 0.9068 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 -3.6830 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -3.0944 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6262 0.2960 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6282 1.0137 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 1.7247 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 -3.3924 -2.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 -4.3009 2.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4492 0.0647 -1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6709 -0.6200 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4977 -0.2570 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8549 -0.2939 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7283 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 0.9400 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 2.1432 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 3.8903 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 2.7254 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 3.8836 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1562 3.1294 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6187 3.4360 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5898 -3.0827 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -1.1439 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 -0.8015 -2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -3.8064 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 1.1755 -1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7986 -4.5147 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -2.9379 3.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 0.0441 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 1.3580 2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 2.6382 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 -3.9932 -3.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -5.1161 2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4048 -0.3272 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5617 -1.5594 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2981 -0.9105 -0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 -0.9744 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 4 17 1 0 0 0 0 4 52 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 21 2 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 25 2 0 0 0 0 11 31 1 0 0 0 0 11 39 2 0 0 0 0 12 32 1 0 0 0 0 12 40 2 0 0 0 0 13 37 1 0 0 0 0 13 43 2 0 0 0 0 14 38 1 0 0 0 0 14 44 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 24 31 2 0 0 0 0 25 28 1 0 0 0 0 26 30 1 0 0 0 0 26 32 2 0 0 0 0 27 33 1 0 0 0 0 27 37 2 0 0 0 0 28 36 1 0 0 0 0 28 38 2 0 0 0 0 29 34 2 0 0 0 0 29 53 1 0 0 0 0 30 35 2 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 41 2 0 0 0 0 33 57 1 0 0 0 0 34 39 1 0 0 0 0 34 58 1 0 0 0 0 35 40 1 0 0 0 0 35 59 1 0 0 0 0 36 42 2 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 41 43 1 0 0 0 0 41 65 1 0 0 0 0 42 44 1 0 0 0 0 42 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 M END > DB13422 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FUWFSXZKBMCSKF-ZASNTINBSA-N/SDF?record_type=3d > [H][C@]1(COC(=O)C2=CN=CC=C2)O[C@](O)(COC(=O)C2=CN=CC=C2)[C@@]([H])(OC(=O)C2=CN=CC=C2)[C@]1([H])OC(=O)C1=CN=CC=C1 > InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1 > FUWFSXZKBMCSKF-ZASNTINBSA-N > C30H24N4O10 > 600.54 > 600.149242989 > 10 > 68 > 58.7951914686238 > 0 > 1 > 0 > 0 > [(2R,3S,4R,5R)-2-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-[(pyridine-3-carbonyloxy)methyl]oxolan-2-yl]methyl pyridine-3-carboxylate > 2.00 > 2.3525103686666666 > -4.01 > 1 > 5 > 0 > 10.21918957533915 > 3.8420297115188093 > 186.2199999999999 > 147.0212 > 14 > 0 > 5.93e-02 g/l > nicofuranose > 0 $$$$