16490 -OEChem-10051719203D 57 60 0 1 0 0 0 0 0999 V2000 -1.2727 0.2109 -1.3078 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3022 -3.0270 0.7463 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 -0.0445 -1.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 2.3963 1.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3449 1.8616 -0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 0.7357 0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1251 0.1630 -1.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 0.3801 0.2160 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9721 -0.8527 0.0335 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4119 -0.7006 0.6853 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1486 0.5224 0.0393 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1589 -0.1443 -0.5122 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8605 -2.0248 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 1.5833 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 -1.6178 -0.0170 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2692 1.8102 0.0533 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6294 0.6790 0.5678 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2272 -1.9932 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2003 0.6924 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 -1.8556 1.0180 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3326 -0.6719 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 0.6500 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 -2.5944 -1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 1.0579 2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3413 1.7866 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 -0.8280 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 -0.1215 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4536 1.6346 -0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0947 0.3125 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -0.9891 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -0.5322 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -2.1630 1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.9631 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.4292 -1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 2.4933 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 -1.6871 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 2.5503 -0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7475 -2.8224 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2465 -2.2930 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 0.7307 2.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -0.0511 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 1.6656 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 -1.7451 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -2.6503 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 -2.3454 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -3.6022 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 0.9230 2.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 0.4510 2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 2.1080 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0241 0.8943 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9285 2.7906 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 3.2199 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 -1.7968 -0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 -0.5251 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -0.9091 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 2.4733 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6638 1.0577 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 12 1 0 0 0 0 3 50 1 0 0 0 0 4 16 1 0 0 0 0 4 52 1 0 0 0 0 5 22 2 0 0 0 0 6 27 1 0 0 0 0 6 57 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 56 1 0 0 0 0 M END > DB00663 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WXURHACBFYSXBI-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](F)C2=CC(=O)C=C[C@]12C > InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1 > WXURHACBFYSXBI-GQKYHHCASA-N > C22H28F2O5 > 410.458 > 410.190480328 > 5 > 57 > 41.24791429111008 > 1 > 3 > 0 > 1 > (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one > 1.91 > 1.3418503866666678 > -3.68 > 0 > 4 > 0 > 13.427039727833684 > 12.418192099162177 > -3.330175673881957 > 94.83 > 102.31629999999998 > 2 > 1 > 8.53e-02 g/l > flumethasone > 0 $$$$