22875828 -OEChem-10061700173D 55 58 0 1 0 0 0 0 0999 V2000 3.6204 -2.9468 -0.1521 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 1.9669 -1.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -0.2819 -0.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9659 1.8465 0.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1166 1.9442 1.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 0.8383 1.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8467 0.0163 -0.2991 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8484 -1.0828 0.1152 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5367 -0.9207 -0.5258 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1385 0.4576 -0.0759 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0860 -0.4703 0.4912 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2809 1.3668 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -2.3773 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -2.0114 0.2945 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1498 1.6379 -0.3406 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6178 0.6613 -0.5952 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4561 -2.0846 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 0.0479 -1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -1.8996 -0.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4282 -0.5698 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5249 -2.7408 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 0.1566 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 0.8015 -2.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 1.9380 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -0.5036 0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 2.0076 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8013 1.4159 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 0.7862 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -1.0121 1.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -0.9407 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 0.4019 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -0.2631 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 1.3872 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 2.1782 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 -2.6816 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -3.2031 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7459 -2.3227 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 2.5309 0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -3.0316 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 -2.2007 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6902 -0.8410 -2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 0.9170 -2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 0.1051 -2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 -1.9656 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 -2.5198 2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -2.4477 1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5169 -3.8243 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 0.0441 -2.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 1.7817 -2.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 0.7003 -2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 2.8761 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 2.7350 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0772 -1.3918 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 2.9562 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 2.6826 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 52 1 0 0 0 0 3 22 2 0 0 0 0 4 27 1 0 0 0 0 4 55 1 0 0 0 0 5 27 2 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 13 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 25 2 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 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 26 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 M END > DB13223 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PUWHHWCHAVXSIG-NCLPIGKXSA-N/SDF?record_type=3d > C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)C(O)=O > InChI=1S/C22H27FO5/c1-10-6-13-12-8-15(23)14-7-11(24)4-5-21(14,2)18(12)16(25)9-22(13,3)17(10)19(26)20(27)28/h4-5,7,10,12-13,15-18,25H,6,8-9H2,1-3H3,(H,27,28)/t10-,12+,13+,15+,16+,17-,18-,21+,22+/m1/s1 > PUWHHWCHAVXSIG-NCLPIGKXSA-N > C22H27FO5 > 390.451 > 390.184252132 > 5 > 55 > 40.21271691880387 > 1 > 2 > 0 > 1 > 2-[(1S,2R,8S,10S,11S,13R,14S,15S,17S)-8-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoacetic acid > 2.26 > 2.744557041666666 > -4.11 > 0 > 4 > -1 > 15.161784846734037 > 3.725818823377043 > -0.2328609392891131 > 91.67 > 101.55799999999998 > 2 > 1 > 3.02e-02 g/l > [(1S,2R,8S,10S,11S,13R,14S,15S,17S)-8-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl](oxo)acetic acid > 0 $$$$