445981 -OEChem-10051720283D 58 60 0 1 0 0 0 0 0999 V2000 -0.4150 -2.1620 2.7808 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 0.9871 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 -0.5551 0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 0.1682 0.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 -1.7342 1.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 3.0862 0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 2.1902 0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -0.1915 -1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -1.3964 0.9397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 2.6279 -1.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 -3.0126 -1.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8119 -1.4428 -2.4112 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0624 -3.0150 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4573 2.3253 0.4465 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5528 1.3081 -1.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -1.8292 -1.5701 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0060 1.4995 -0.3834 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4573 0.1403 0.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1988 -0.8007 1.7774 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6325 0.8006 -0.0136 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2225 1.0008 0.3181 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7675 1.7439 0.3850 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0156 1.5020 -0.4640 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3624 0.0143 -0.5269 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1071 -1.5624 1.5949 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1307 -0.8151 -0.8974 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2541 -0.6320 1.2169 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4143 1.8721 -0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -2.3116 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -0.6944 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1743 -0.8913 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 0.2292 1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 -0.1645 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2154 0.9559 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 0.7592 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 -0.4740 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -0.2512 2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 1.0452 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 1.6618 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 1.6342 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 1.9172 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 -0.3112 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 -2.3640 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7787 -0.5690 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4533 0.0220 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 2.5645 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 1.2560 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 -2.5885 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -2.6215 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -2.2290 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 3.2027 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 1.8549 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 0.0815 -2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 3.1705 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -3.9618 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.3834 2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7911 -0.3337 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 1.6636 1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 5 19 1 0 0 0 0 5 50 1 0 0 0 0 6 22 1 0 0 0 0 6 51 1 0 0 0 0 7 23 1 0 0 0 0 7 52 1 0 0 0 0 8 24 1 0 0 0 0 8 53 1 0 0 0 0 9 27 1 0 0 0 0 9 30 1 0 0 0 0 10 28 1 0 0 0 0 10 54 1 0 0 0 0 11 29 1 0 0 0 0 11 55 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 16 31 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 25 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 28 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 M CHG 4 12 -1 14 -1 16 1 17 1 M END > DB04086 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WFVCNOHOODVBQK-IUBYCILNSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC3=C(C=C(C=C3)N(=O)=O)N(=O)=O)[C@]([H])(F)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1 > WFVCNOHOODVBQK-IUBYCILNSA-N > C18H23FN2O14 > 510.3786 > 510.113331659 > 14 > 58 > -1.1368727099759237e-05 > 44.04663007409269 > 0 > 6 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.82 > -1.5981630919999992 > -1.97 > 1 > 0 > 3 > 0 > 12.68479239046598 > 12.080442294426495 > -2.9810835653018843 > 249.93999999999994 > 105.55389999999997 > 8 > 0 > 5.50e+00 g/l > tetrahydrofolic acid > 0 $$$$