102333 -OEChem-09031813233D 69 73 0 1 0 0 0 0 0999 V2000 4.8864 -2.3399 -0.7848 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -1.0141 1.1464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 -3.1853 0.2509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 2.3974 -1.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2635 -0.9083 -1.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 1.3078 0.0305 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 0.9400 2.6155 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 3.4783 0.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 -0.0681 -0.7645 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1940 -1.1172 -0.5364 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5778 -0.6487 -1.0049 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1440 -0.8798 -0.2724 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9661 0.6407 -0.1901 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3973 -2.4027 -1.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 -2.2964 -0.8019 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5578 1.1767 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.7292 -0.2391 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4277 1.1239 -0.5332 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6234 -1.7673 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 0.3075 -2.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -0.0821 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0539 -1.3008 -1.0877 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4629 -0.2838 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4518 -2.3908 1.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 2.3492 0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5986 1.5560 -2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 2.0035 1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2281 -0.1342 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 1.1170 -0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4972 -2.8744 2.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8996 -2.5343 1.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3097 0.9559 1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5096 2.5443 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9984 2.6011 0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2903 -1.2917 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5445 -0.4195 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 0.3218 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -2.4298 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 -3.2970 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 -2.5641 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 0.9372 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2742 1.9835 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 2.4953 0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 -2.6046 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 -2.1816 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 1.2337 -2.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 0.4380 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -0.4663 -2.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -1.0839 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 3.1466 0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 2.7863 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 2.5522 -2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 1.6163 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1374 0.8678 -2.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0756 1.7716 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 1.6311 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 2.8987 2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 -1.0075 0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 1.8320 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2441 1.2688 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 -2.2705 3.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6754 -3.9264 2.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4575 -2.7981 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 -3.5755 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -1.9050 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5961 -2.2284 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3198 1.8533 1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4821 2.4308 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2865 3.5910 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 24 1 0 0 0 0 3 15 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 55 1 0 0 0 0 5 23 2 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 7 32 2 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 28 2 0 0 0 0 22 49 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 32 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 32 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 33 34 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 M END > DB14673 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AUDPKCCPWYXNEV-XTLNBZDDSA-N/SDF?record_type=3d > CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]21C > InChI=1S/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1 > AUDPKCCPWYXNEV-XTLNBZDDSA-N > C26H35FO7 > 478.557 > 478.23668163 > 6 > 69 > 49.63788140319775 > 1 > 1 > 0 > 1 > 2-[(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-8-yl]-2-oxoethyl acetate > 2.54 > 2.0040935606666666 > -4.47 > 0 > 5 > 0 > 15.240508247831333 > 14.666366372377297 > -2.8470625661142437 > 99.13000000000001 > 119.94340000000001 > 4 > 1 > 1.62e-02 g/l > 2-[(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-8-yl]-2-oxoethyl acetate > 0 $$$$