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2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0439 3.8544 -2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9332 2.5737 -4.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 2.7469 -2.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -0.3144 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 0.0832 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 0.3125 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9551 -1.6346 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 -1.6119 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7379 -0.1449 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 -2.6588 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 -1.1892 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5582 -3.4969 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 30 1 0 0 0 0 2 27 1 0 0 0 0 2 30 1 0 0 0 0 3 16 1 0 0 0 0 3 39 1 0 0 0 0 4 17 1 0 0 0 0 4 89 1 0 0 0 0 5 39 2 0 0 0 0 6 42 1 0 0 0 0 6 94 1 0 0 0 0 7 42 2 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 2 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 41 42 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 M END > DB05399 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RKSMVPNZHBRNNS-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C > InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37) > RKSMVPNZHBRNNS-UHFFFAOYSA-N > C35H52O5S2 > 616.914 > 616.325616154 > 4 > 94 > -0.998114824112604 > 71.2702616983926 > 0 > 2 > 0 > 0 > 4-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-4-oxobutanoic acid > 8.18 > 10.305213213333333 > -7.30 > 0 > -1 > 2 > -1 > 10.591940591814476 > 4.3315483329403595 > -5.084481276417298 > 83.83000000000001 > 179.30380000000008 > 13 > 0 > 3.09e-05 g/l > tetrahydrofolic acid > 0 $$$$