HMDB0012516 RDKit 3D 11'-Carboxy-alpha-tocotrienol 68 69 0 0 0 0 0 0 0 0999 V2000 2.3641 0.8332 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 -0.5947 -1.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 -1.2719 -1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0904 -0.8940 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 0.4435 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 0.6281 0.4764 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7889 2.0538 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0326 -0.3075 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0195 -1.3822 1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1972 -0.7856 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 -1.2100 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7332 -2.2942 1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5424 -0.5977 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8168 -1.0572 0.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 0.4141 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5364 1.0227 -1.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0657 0.8088 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8423 1.8885 -1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 0.2209 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 0.5691 -0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 -1.3073 -2.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -1.3652 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -0.0987 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 0.2352 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9069 -0.7021 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 1.4986 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 1.1703 1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 0.3806 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3175 0.0211 1.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 0.0361 -0.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 1.1483 -1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 1.1923 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7642 1.4690 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.3740 -1.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9825 -1.2272 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 -1.6183 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 0.5520 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 1.2675 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 2.4959 0.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 2.0723 2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 2.7054 0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -0.7465 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 0.2566 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -1.9732 2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.1208 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 -3.1145 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -2.6947 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 -1.9253 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6551 -0.6803 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8935 0.3802 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3067 2.0319 -1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3919 1.1746 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 1.9716 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5259 1.7830 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 2.8447 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -2.3158 -2.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 -0.7870 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -2.0388 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 -1.9258 -1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 0.5809 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0087 -0.2958 2.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -1.6220 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -0.9452 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4466 2.0977 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3369 2.0361 1.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 0.5409 2.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7183 2.0954 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8248 -0.2029 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 6 5 1 6 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 2 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 20 6 1 0 19 10 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 12 46 1 0 12 47 1 0 12 48 1 0 14 49 1 0 16 50 1 0 16 51 1 0 16 52 1 0 18 53 1 0 18 54 1 0 18 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 25 61 1 0 25 62 1 0 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 30 68 1 0 M END