14985 -OEChem-05050814422D 81 82 0 1 0 0 0 0 0999 V2000 6.0290 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9350 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4383 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4450 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4516 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8383 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0334 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0643 0.0000 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 6 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 6 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 1 0 0 0 0 12 19 2 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 2 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 6 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 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 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 2 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 > 1 > 14985 > 1 > 503 > 2 > 1 > 12 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAGgAACAAADUSAmAACBoAABgCAAgBAAAACCAAgIAAAiAAECIgMJiKGMBqCeCCkwBEIuAfAwPAOwQADAAAYAACCAAYAADAAAAAAAAAAAA== > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol > InChI=1/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/t21-,22-,29-/m1/s1 > 10 > 430.381081 > C29H50O2 > 430.7061 > CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O > CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O > 29.5 > 430.381081 > 0 > 31 > 3 > 0 > 0 > 0 > 0 > 1 > 9 > 46506524 > 1 > DrugBank > DB00163 > Small Molecule; Nutraceutical; Approved > (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol DB00163 Tocopherol Vitamin E alpha-Tocopherol > DB00163 > http://www.drugbank.ca/ > http://www.drugbank.ca/cgi-bin/getCard.cgi?CARD=DB00163.txt > 14985 1 > 12 14 8 12 19 8 14 20 8 16 23 6 19 24 8 20 22 8 22 24 8 3 11 6 7 17 6 $$$$