443967 -OEChem-10051723203D 62 65 0 1 0 0 0 0 0999 V2000 2.1964 -0.1030 -1.3160 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 0.0034 -1.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 -2.1762 1.4561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 -1.5132 0.7857 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 -0.5229 0.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 0.0002 -1.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2941 0.2168 -1.5902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9278 -0.2462 0.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0461 0.9943 0.0204 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3535 0.8921 0.6463 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0944 -0.3513 0.0443 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2524 0.2111 -0.4025 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9520 2.1520 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2177 -1.4583 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 1.7493 -0.1444 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2347 -1.6477 0.1392 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5808 -0.4660 0.5666 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1474 2.1877 0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -0.5079 1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 2.0913 0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.8819 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 -0.6071 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4589 2.2324 0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -0.7751 2.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3041 -1.5959 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 1.0250 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 -0.2525 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -1.4598 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0316 -0.1350 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0916 -0.2417 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1757 -0.5776 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 1.0935 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2683 0.7783 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 2.2653 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 3.1048 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 -1.3366 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7968 -2.3700 -0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4508 2.2668 -1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6705 -2.4110 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 3.0300 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 2.4222 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9462 0.1473 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.5452 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2892 -0.3508 2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 2.0305 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 3.0158 0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 2.2465 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 1.6300 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 3.2662 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -0.1673 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4924 -1.8250 2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -0.5807 2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 -0.9520 -1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 -2.6016 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8095 -2.9555 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 1.9967 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -0.8952 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 0.7831 -1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8805 -2.3134 -1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0539 0.0207 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -1.6443 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1488 -0.3465 0.0621 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 53 1 0 0 0 0 3 16 1 0 0 0 0 3 55 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 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 32 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 23 1 0 0 0 0 15 38 1 0 0 0 0 16 39 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 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 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 29 1 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > DBSALT001422 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AKUJBENLRBOFTD-QZIXMDIESA-N/SDF?record_type=3d > C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O > InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1 > AKUJBENLRBOFTD-QZIXMDIESA-N > C24H31FO6 > 434.504 > 434.210466881 > 5 > 62 > 44.873426407147704 > 1 > 2 > 0 > 1 > 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate > 2.60 > 2.1226950899999997 > -4.42 > 0 > 4 > 0 > 13.667391736662246 > 12.44078459468664 > -3.393377246729462 > 100.9 > 111.64439999999998 > 4 > 1 > 1.64e-02 g/l > 2-[(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate > 0 $$$$