9642 -OEChem-02212015013D 67 71 0 1 0 0 0 0 0999 V2000 1.9057 -0.1729 -1.1881 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 2.4646 0.7845 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 1.0053 -1.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 3.1669 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -2.3686 1.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 0.8420 1.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.3806 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -0.9682 -2.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 -3.5391 -0.7129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.0726 0.7496 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0696 1.1466 0.5126 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4702 0.7025 0.9564 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2670 0.8603 0.2833 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8813 -0.5715 0.1397 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0509 2.2774 0.8213 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5409 2.4136 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 -1.1548 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -1.6803 0.1907 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3557 -1.0345 0.4688 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4834 1.8407 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -0.3195 2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 1.4092 1.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5690 0.2371 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 2.3777 -1.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2751 0.1797 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.5480 1.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -2.1847 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8302 -1.1653 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0906 2.4796 -1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 2.9047 -2.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 0.1921 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -2.1750 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -0.9841 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 -2.6209 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0681 -2.7044 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1427 1.3349 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.4671 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 2.5256 1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 2.4376 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 3.3211 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -0.9056 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -1.9772 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 -2.4182 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 2.6962 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.2157 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 0.4917 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 -1.1829 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.5861 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 1.2101 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 -2.5597 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6127 -1.6005 2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -0.9028 2.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -3.1005 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -3.2314 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -1.8803 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.3003 -0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 1.8499 -2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7673 2.1496 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 3.5145 -2.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 2.8528 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 2.3101 -3.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 3.9543 -2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9435 1.0679 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -3.0379 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 -2.5496 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3428 -3.6972 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4134 -1.9581 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 34 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 53 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > DB01047 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WJOHZNCJWYWUJD-IUGZLZTKSA-N/SDF?record_type=3d > [H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O > InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1 > WJOHZNCJWYWUJD-IUGZLZTKSA-N > C26H32F2O7 > 494.5249 > 494.211609788 > 6 > 67 > -2.729008878908873e-07 > 48.972019521752635 > 1 > 1 > 0 > 0 > 2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl acetate > 2.93 > 2.0455239793333324 > -4.47 > 0 > 0 > 5 > 0 > 14.72324523726617 > 13.600004673824001 > -3.393571821166639 > 99.13 > 120.5647 > 4 > 1 > 1.68e-02 g/l > nasonex > 0 $$$$