57112 -OEChem-10051722463D 51 52 0 1 0 0 0 0 0999 V2000 -0.4027 -2.8673 0.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 -1.5211 0.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4739 0.9473 -0.8957 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7289 2.6204 0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 1.1863 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 0.4576 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -1.6345 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 -0.8663 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 0.8155 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8289 0.9119 1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 2.7314 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3635 -0.8979 -0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 0.6311 -1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -0.3977 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -1.6043 -0.1251 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7918 -0.0507 -1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 -1.0796 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 -0.8078 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 -0.7740 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0867 0.4377 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0554 -1.2352 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 1.1977 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -0.4754 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3195 0.7411 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5348 1.5336 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8951 -1.8634 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 -2.6098 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0184 -0.6681 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 0.1116 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -0.2635 -1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 1.3287 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 1.0928 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0939 -0.1471 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2377 1.2084 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7656 1.4814 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7898 3.2686 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 3.0587 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1536 3.0525 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -1.8070 -1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 1.2912 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8773 -0.5688 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2014 0.0925 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 -1.7420 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4814 -0.6897 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 0.1773 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -2.7028 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 0.8151 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 -2.1823 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3121 2.1397 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0274 -0.8684 -1.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2890 1.4897 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 46 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 25 1 0 0 0 0 3 51 1 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 M END > DB12448 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LNXBEIZREVRNTF-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=CC=C(CCC(O)COC2=CC=C(C=C2)C(O)=O)C=C1 > InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24) > LNXBEIZREVRNTF-UHFFFAOYSA-N > C21H26O4 > 342.435 > 342.183109317 > 4 > 51 > 39.33376972430059 > 1 > 2 > 0 > 1 > 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid > 4.69 > 4.8455817743333345 > -4.77 > 0 > 2 > -1 > 14.437690734000693 > 4.35885390598517 > -3.0447540777477045 > 66.76 > 98.37439999999997 > 8 > 1 > 5.86e-03 g/l > lifibrol > 0 $$$$