71414 -OEChem-10051723033D 67 70 0 1 0 0 0 0 0999 V2000 1.9980 -0.3034 -1.2030 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 2.5911 0.3493 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 0.7454 -1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -2.0139 1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 1.0267 1.4242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8783 -1.4786 0.5946 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1334 2.0903 -1.5864 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 -1.3095 -1.9541 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3219 -2.9550 -1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 0.3061 0.6105 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1582 1.3104 0.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5459 0.9245 0.7563 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9501 -0.4726 0.1721 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1920 1.0193 -0.0073 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4392 2.6540 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -1.0555 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9173 2.5463 0.1734 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8390 -1.5429 0.3929 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4128 -0.8930 0.5980 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5809 1.9995 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 0.1640 2.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 1.6081 0.7892 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3534 0.2592 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 0.5019 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 3.2998 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 -1.1536 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 -2.1844 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 0.1165 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0796 -0.6918 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8576 -2.3295 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 1.3513 -2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 -1.1856 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 0.9770 -3.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4486 -2.5943 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2628 -3.3278 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 1.3336 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 0.8693 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 2.8186 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 3.4906 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -0.9910 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -1.8109 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 3.0672 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -2.4099 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 2.9520 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 2.1994 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -0.6440 2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 -0.0624 2.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 1.0713 2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 1.5901 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5092 4.3457 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 3.3262 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7994 2.9073 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 -2.1015 2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -1.2183 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 -0.3660 2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 -3.0704 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 -2.7237 1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 0.9508 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -1.3231 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7209 -0.3506 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 -3.2856 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -0.1063 -3.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2985 1.3238 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 1.4557 -4.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0641 -2.6819 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6198 -3.6501 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 -4.2130 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 18 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 29 1 0 0 0 0 6 34 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 25 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 32 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > DBSALT000887 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BOBLHFUVNSFZPJ-JOYXJVLSSA-N/SDF?record_type=3d > [H][C@]1(C)C[C@@]2([H])[C@]3([H])C[C@]([H])(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O > InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1 > BOBLHFUVNSFZPJ-JOYXJVLSSA-N > C26H32F2O7 > 494.532 > 494.211609696 > 5 > 67 > 49.11432970284896 > 1 > 1 > 0 > 0 > 2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate > 2.85 > 2.224101207333332 > -4.63 > 1 > 4 > 0 > 14.453799973880933 > 13.553008116581104 > -3.393525634341403 > 106.97 > 120.61929999999994 > 6 > 1 > 1.16e-02 g/l > diflorasone > 0 $$$$