10386732 -OEChem-01072116173D 58 61 0 1 0 0 0 0 0999 V2000 1.1901 -0.3096 -1.2723 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 0.1223 -1.8364 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -2.1806 1.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4274 3.0821 0.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4095 0.2086 0.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8411 -2.2787 -0.6213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 -0.5912 -1.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -0.1779 0.3080 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9811 0.9872 -0.0081 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4095 0.8331 0.6316 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0772 -0.4801 0.1005 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2144 0.3383 -0.4348 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8028 2.2354 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -1.4677 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 1.8577 -0.0831 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1384 -1.7164 0.2554 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5591 -0.6552 0.6212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2786 2.0617 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2389 -0.3316 1.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 1.9092 0.8149 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3310 0.6319 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -0.3825 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 2.7663 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 -0.8734 2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -1.8773 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4475 0.6335 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5177 -1.8643 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 -1.8708 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0129 -0.6097 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 1.0172 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3101 0.7840 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 2.4698 1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 3.1111 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -1.4270 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9105 -2.3389 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 2.0341 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -2.5443 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8398 2.9602 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 2.2551 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 -1.2998 2.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3563 -0.2476 2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 0.4339 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 1.8819 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8669 3.7971 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 2.7792 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 2.4477 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -1.8844 2.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 -0.7522 2.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -0.1686 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4637 0.7559 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7269 -2.8426 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1761 -1.4293 2.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 1.5469 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -2.4199 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -2.1179 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 3.8437 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -2.7850 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1272 -1.8386 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 50 1 0 0 0 0 3 16 1 0 0 0 0 3 52 1 0 0 0 0 4 20 1 0 0 0 0 4 56 1 0 0 0 0 5 22 2 0 0 0 0 6 27 1 0 0 0 0 6 58 1 0 0 0 0 7 29 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 30 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 31 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 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 23 1 0 0 0 0 15 36 1 0 0 0 0 16 37 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 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 M END > DBMET01644 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RVBSTEHLLHXILB-GQKYHHCASA-N/SDF?record_type=3d > [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C > InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1 > RVBSTEHLLHXILB-GQKYHHCASA-N > C22H29FO6 > 408.466 > 408.194816817 > 6 > 58 > -4.302707188933901e-06 > 42.072811446211176 > 1 > 4 > 0 > 1 > (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-fluoro-1,5,10-trihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one > 0.4507586126666677 > 0 > 0 > 4 > 0 > 13.447895287009743 > 12.421325717819666 > -3.006628523838568 > 115.06 > 104.00839999999998 > 2 > 1 > disodium dexamethasone phosphate(2-) > 0 $$$$