2116 -OEChem-07061814523D 81 82 0 1 0 0 0 0 0999 V2000 3.1682 0.0819 0.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -4.0320 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.5351 -0.8804 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6373 1.5667 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.6372 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 2.4549 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 4.3865 0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1073 3.5008 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 -1.4696 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 3.5375 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 1.2405 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.7380 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 2.6673 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -0.9550 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.8409 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8870 1.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5537 5.3340 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.3569 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 -2.7670 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -1.2229 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -1.3692 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 -2.2563 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 0.5002 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -3.0258 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 -0.8452 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.2650 -2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -3.6030 -1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -0.3948 2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 -2.5415 3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 0.2882 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -1.3422 -2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 2.1722 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 1.0697 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -1.2899 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 -0.2826 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 2.9694 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 1.8253 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 4.9934 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 2.9989 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 4.1498 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 -2.4057 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 -0.9590 -2.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 4.2248 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 2.9266 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 1.6725 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 2.0328 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 0.5332 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0172 1.9824 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 3.2904 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 1.2619 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.5539 2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 1.4404 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 4.7993 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 6.0284 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 5.9310 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -0.0494 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -0.8836 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -2.2390 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -1.7601 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.3914 3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -0.0650 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -0.1076 3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -1.6654 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 -0.0771 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 0.5671 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -4.3125 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.1772 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -2.9758 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -0.0128 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.4904 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -0.9871 3.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 -2.1041 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -3.6206 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -2.1661 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 -0.4967 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.7183 -4.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6683 1.0765 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -2.2346 -3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -1.6421 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 -0.9676 -3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -3.8846 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 M END > DB14476 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GVJHHUAWPYXKBD-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1 > InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3 > GVJHHUAWPYXKBD-UHFFFAOYSA-N > C29H50O2 > 430.717 > 430.38108085 > 2 > 81 > 56.1786256708737 > 0 > 1 > 0 > 0 > 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol > 8.84 > 10.507717260000002 > -7.79 > 0 > 2 > 0 > 10.802178125613777 > -4.852614901775799 > 29.46 > 135.37409999999994 > 12 > 0 > 7.04e-06 g/l > vita E > 0 $$$$