11794741 -OEChem-09011814223D 55 58 0 1 0 0 0 0 0999 V2000 -1.3744 0.1628 -1.2894 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -0.0891 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 2.0397 1.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 -0.1389 0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 2.3916 -0.5861 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2476 0.1816 -1.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 0.1488 0.2259 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8845 -1.0610 -0.0879 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4976 -0.9730 0.5792 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2283 0.3210 0.0803 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0939 1.4072 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.2942 -0.5286 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3395 1.5926 0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6966 0.4296 0.6532 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7692 -2.2714 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3244 -2.2338 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -1.7886 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 0.3104 1.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7437 -2.1437 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 -0.8852 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 0.6418 2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 0.4460 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 1.6178 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5509 -0.9582 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.5960 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5462 1.5513 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3439 1.9375 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2011 0.2535 -0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 -1.0834 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -0.9292 1.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 1.3572 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 2.3028 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 2.4028 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -3.1544 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 -2.5042 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 -3.1174 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -2.3947 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 1.2593 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 0.2969 2.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -0.4846 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7264 -2.1551 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 -3.0386 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 1.6700 2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 0.4433 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 -0.0172 2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 2.6059 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 -0.5309 -2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 2.8203 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0271 -1.9077 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1489 -2.2509 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1086 -3.6528 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 2.4429 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 2.4726 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7661 2.1798 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 2.2680 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 47 1 0 0 0 0 3 13 1 0 0 0 0 3 48 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 55 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 13 33 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 34 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 16 37 1 0 0 0 0 17 25 2 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > DB08970 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YVHXHNGGPURVOS-SBTDHBFYSA-N/SDF?record_type=3d > [H][C@@]12CC(=C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1 > YVHXHNGGPURVOS-SBTDHBFYSA-N > C22H27FO5 > 390.4452 > 390.184252179 > 5 > 55 > 40.31962571681454 > 1 > 3 > 0 > 1 > (1R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-2-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one > 1.65 > 1.4118775986666672 > -3.52 > 0 > 4 > 0 > 13.46031330266604 > 12.108982576347708 > -3.3347174990174704 > 94.83 > 102.19339999999995 > 2 > 1 > 1.17e-01 g/l > fluprednidene > 0 $$$$