2787 -OEChem-10051722003D 70 72 0 1 0 0 0 0 0999 V2000 4.7216 0.3767 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4692 0.9113 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7889 3.6937 0.8724 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 4.3212 -0.9027 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7149 1.6499 1.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3012 2.3963 -1.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 -2.7198 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -3.6849 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -3.6664 1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -4.7306 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3352 -4.6522 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 -5.5500 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2349 -1.8752 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2686 -1.7315 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 -1.5034 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -1.2816 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 -1.4901 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 -1.2932 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -0.7465 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.3934 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -0.7332 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 -0.4050 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -0.3614 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 0.0450 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 1.7963 0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1614 2.3044 -0.0142 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5878 2.2641 -1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1156 2.7849 1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2907 2.1477 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 2.4960 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 2.3428 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 2.9823 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 1.8157 -2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3815 2.4900 2.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -4.2331 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 -3.1639 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -3.1420 2.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 -4.2556 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -4.2343 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 -5.4008 -2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3257 -5.2746 2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2944 -4.1234 1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -6.2122 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -6.1937 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 -1.7459 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 -1.5617 2.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -1.7464 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4086 -1.6062 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -0.4692 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 -0.0558 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -0.4570 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -0.0870 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 1.8996 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 3.3595 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 3.8668 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 2.3240 1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3075 1.8194 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 3.2396 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.7937 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 2.1614 -1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6079 3.5675 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9745 2.0427 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 0.7251 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 2.1759 -3.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 2.2177 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5885 1.4166 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 2.8495 3.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2533 2.9927 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 4.0208 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8953 4.7339 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 3 31 1 0 0 0 0 3 69 1 0 0 0 0 4 32 1 0 0 0 0 4 70 1 0 0 0 0 5 31 2 0 0 0 0 6 32 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 17 21 2 0 0 0 0 17 47 1 0 0 0 0 18 22 2 0 0 0 0 18 48 1 0 0 0 0 19 23 2 0 0 0 0 19 49 1 0 0 0 0 20 24 2 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 34 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 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 M END > DB09006 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BMOVQUBVGICXQN-UHFFFAOYSA-N/SDF?record_type=3d > CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O > InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32) > BMOVQUBVGICXQN-UHFFFAOYSA-N > C28H36O6 > 468.59 > 468.251188879 > 6 > 70 > 52.23575544784027 > 1 > 2 > 0 > 0 > 2-(4-{1-[4-(1-carboxy-1-methylpropoxy)phenyl]cyclohexyl}phenoxy)-2-methylbutanoic acid > 5.75 > 7.210815283666667 > -6.32 > 1 > 3 > -2 > 4.002158565474649 > 3.3984363919702276 > -4.6151370882682805 > 93.06 > 139.87210000000005 > 10 > 0 > 2.27e-04 g/l > clinofibrate > 0 $$$$