32798 -OEChem-10051719283D 64 67 0 1 0 0 0 0 0999 V2000 -5.1988 1.0114 2.6487 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.1253 0.3374 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 -1.0606 0.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 2.1227 1.7632 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 1.4386 -0.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7409 -1.2315 -0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -2.1873 0.4425 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1106 0.8658 0.0671 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2764 0.2343 -1.0691 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1947 0.6781 -1.0651 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8527 0.2582 0.2943 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5167 0.2790 -0.2697 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1238 0.5055 -2.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4882 0.4067 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 0.2175 -1.8295 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0180 0.7351 1.5209 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3961 0.5928 0.3343 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9434 0.0596 -2.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1603 2.4175 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4342 0.3746 -2.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -0.0318 -0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 0.9570 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 1.1477 -2.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 2.1057 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0207 0.0382 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -0.9237 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 0.9999 1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 -0.8511 1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 -1.6991 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -1.3840 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 -3.0888 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0245 -3.8629 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 -0.8600 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2492 1.7651 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 1.5390 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 -0.1519 -3.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -0.6777 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 0.8805 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -0.8012 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3649 0.2015 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 0.4358 -3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 -1.0293 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 2.7835 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 2.8427 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 2.8741 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5965 1.4455 -2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 -0.1425 -3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 0.8079 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 2.1902 -2.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 1.1401 -3.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 2.5788 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7703 2.2843 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 2.6563 -0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6446 0.4128 2.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 2.2171 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -1.3532 -1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 1.9047 2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 0.1154 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4233 -1.1930 2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9013 -3.6255 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -3.0005 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2211 -3.9725 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9558 -4.8626 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8827 -3.3500 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 55 1 0 0 0 0 5 22 2 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 23 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > DB01013 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CBGUOGMQLZIXBE-XGQKBEPLSA-N/SDF?record_type=3d > [H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C > InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1 > CBGUOGMQLZIXBE-XGQKBEPLSA-N > C25H32ClFO5 > 466.97 > 466.192230046 > 4 > 64 > -2.433978094021202e-07 > 48.26993293095302 > 1 > 1 > 0 > 1 > (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-1-(2-chloroacetyl)-9b-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate > 3.49 > 4.177822793000001 > -5.05 > 0 > 0 > 4 > 0 > 15.142637556642445 > 13.62667006225186 > -3.393395558776773 > 80.66999999999999 > 119.32229999999997 > 5 > 1 > 4.13e-03 g/l > biotin > 0 $$$$