16757521 -OEChem-10061700033D 62 63 0 1 0 0 0 0 0999 V2000 4.3252 -0.1903 1.6130 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 1.2520 0.2779 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 1.4079 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 0.5961 -1.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8445 3.1055 0.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7947 -1.0287 -0.4318 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5056 -2.0529 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 0.4392 -0.0322 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3032 1.6475 -0.2873 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9829 0.9510 -0.4082 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9552 -0.7537 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 2.7830 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 0.3072 -0.4032 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4043 -0.9821 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 2.3728 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 0.1571 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5864 0.0867 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4574 0.4707 -0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3963 -1.0389 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5943 -0.3047 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.0405 0.0757 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9672 -0.0317 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6465 -2.2115 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1065 -1.1162 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1416 -0.7983 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1479 -2.2060 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4751 -0.5286 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6104 -1.2927 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4322 0.1913 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 1.8742 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 1.0067 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -1.6500 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9087 -0.5810 -1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7443 2.8201 1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 3.7482 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 -1.7719 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -1.3542 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 -0.9165 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 0.3653 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 1.5416 -0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 0.2110 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -0.9742 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -2.0058 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 0.2994 -2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3844 -1.3797 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6311 -0.0493 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 -0.1014 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9172 -0.2700 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1767 1.0435 -0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2289 -3.1695 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.1592 -1.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6235 -0.2777 2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1653 -1.0562 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 -2.0449 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9245 -1.8735 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2220 -0.5360 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5840 -1.2281 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3883 -2.4681 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6346 -2.9485 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4121 -0.8296 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7092 0.5402 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5369 -1.5190 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 44 1 0 0 0 0 5 15 2 0 0 0 0 6 28 1 0 0 0 0 6 62 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 9 12 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 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 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 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 M END > DB05514 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SDDSJMXGJNWMJY-BRHAQHMBSA-N/SDF?record_type=3d > CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1 > InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1 > SDDSJMXGJNWMJY-BRHAQHMBSA-N > C21H34F2O5 > 404.495 > 404.237430521 > 5 > 62 > 44.140498456457806 > 1 > 2 > 0 > 1 > 7-[(2R,4aR,5R,7aR)-2-[(3S)-1,1-difluoro-3-methylpentyl]-2-hydroxy-6-oxo-octahydrocyclopenta[b]pyran-5-yl]heptanoic acid > 3.16 > 4.850915734666667 > -4.41 > 0 > 2 > -1 > 9.679981023684032 > 4.3044784314332585 > -4.395928397105216 > 83.83000000000001 > 100.1495 > 11 > 1 > 1.58e-02 g/l > cobiprostone > 0 $$$$