HMDB0006327 RDKit 3D alpha-Tocotrienol 75 76 0 0 0 0 0 0 0 0999 V2000 10.8286 0.6017 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3616 0.4792 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 1.5545 1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8318 -0.5730 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3669 -0.6519 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1093 -0.7131 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -0.7936 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -0.8609 -2.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 -0.8025 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.8845 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 0.3281 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 0.3541 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7934 0.3393 -1.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2657 0.3895 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 0.4159 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 -0.7791 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -0.7775 0.3751 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9726 -2.0096 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5661 -0.7514 -1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -1.0920 -1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8976 -0.2480 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2336 -0.2032 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7632 -0.9530 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0949 0.5591 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4423 0.5913 -0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6349 1.2641 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5949 2.0665 1.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 1.1968 1.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8202 1.9690 2.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 0.4411 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0264 0.3711 0.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0318 1.3784 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3473 0.8531 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2306 -0.3536 1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7447 1.1410 2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 2.0121 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0789 2.3180 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 -1.3640 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 0.2446 0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9368 -1.5448 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5276 0.2426 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 -1.5760 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5012 -0.0465 -2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 -0.7865 -3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 -1.8035 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 -0.7527 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9305 -1.7772 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 -1.0753 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 0.3731 0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 1.2445 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 -0.5353 -2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3643 1.2811 -2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 0.0868 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5843 0.3996 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 0.4410 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 1.3251 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 -1.6767 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -0.8966 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8169 -2.9167 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -1.8586 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 -2.1813 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 -1.4593 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 0.2962 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2718 -1.0125 -2.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -2.1699 -1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7850 -1.3301 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7871 -0.3518 -2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1386 -1.8722 -2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0781 1.1544 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 2.7008 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3381 1.4582 2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0955 2.7748 2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9049 3.0611 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 1.6489 2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4419 1.6984 3.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 17 16 1 6 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 31 17 1 0 30 21 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 13 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 18 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 23 66 1 0 23 67 1 0 23 68 1 0 25 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 M END