HMDB0042275 RDKit 3D TG(14:0/14:1(9Z)/20:0) 153152 0 0 0 0 0 0 0 0999 V2000 -3.5870 -5.8941 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 -4.6568 -0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 -3.4811 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -2.1869 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8861 -1.8447 -1.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 -0.7482 -1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5106 0.3796 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 1.6228 -1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 2.8732 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 3.0533 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 2.9161 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 3.2803 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 3.2656 1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 1.9738 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 1.9954 0.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 0.7103 1.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -0.4496 1.0966 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5736 -1.1234 2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 -1.4873 3.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3157 -2.1270 4.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3616 4.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8417 -2.5715 5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -2.0600 4.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 -2.5468 5.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 -2.0734 4.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1137 -2.4796 3.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4981 -1.9367 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9531 -2.3962 1.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3125 -1.8689 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7264 -2.3820 0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -1.9944 -0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -2.5760 -2.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4942 -2.2408 -3.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0416 -2.8101 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 -1.3615 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -2.4046 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -3.4038 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5294 -3.3524 -1.7219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6041 -4.4744 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 -4.3483 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 -4.4129 0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -4.3407 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -3.2203 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7950 -3.0878 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6684 -1.8425 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8265 -0.5708 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1839 -0.5197 -0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 0.6916 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.6600 -2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 1.8239 -2.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 3.1471 -2.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 4.2857 -2.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 5.6422 -2.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 6.6722 -2.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 8.0827 -2.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0363 8.4349 -1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 9.8850 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1888 -5.5730 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1924 -6.6114 -0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -6.3414 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -4.7688 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -4.5258 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4389 -3.6182 0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 -3.3571 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 -2.3062 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7735 -1.4325 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -2.5930 -2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2648 -0.6115 -2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5407 0.4697 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 0.2531 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 1.7589 -2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 1.4430 -2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 3.6949 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 3.1681 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 4.1140 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 2.4400 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 3.6418 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 1.9016 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4714 4.2151 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 2.4824 2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 4.0501 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 3.5942 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 -0.1302 0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -0.4033 3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.9640 2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8941 -3.6975 4.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 -2.3882 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -2.5324 3.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -0.9678 4.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 -3.6668 5.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 -2.2405 6.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4268 -2.4320 5.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -0.9519 5.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 -2.0212 2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1584 -3.5800 3.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -2.3974 4.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5628 -0.8394 3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9898 -3.4896 1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2210 -1.9519 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0757 -2.0946 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2442 -0.7438 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7865 -3.5059 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7695 -2.0444 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7722 -2.3004 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8713 -0.8942 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5338 -3.6673 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3629 -2.1146 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -2.5968 -3.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4346 -1.1415 -3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5541 -3.7800 -4.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8252 -2.1251 -5.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1374 -2.9937 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -1.7935 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7343 -0.8393 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1609 -5.4443 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -4.6092 -2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6712 -5.0756 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 -3.3140 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2456 -5.4436 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 -3.7310 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.3875 2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -5.3174 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 -3.1852 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2363 -2.2607 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3442 -3.1791 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5147 -3.9734 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3608 -1.8245 -0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 -1.8279 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1391 -0.4645 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 0.2706 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0272 -0.4245 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5998 -1.3931 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 0.6403 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8549 1.6193 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -0.2676 -2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 0.6501 -3.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2605 1.7404 -3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 1.7848 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8579 3.2861 -1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 3.1394 -3.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 4.2586 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 4.1420 -3.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0621 5.7974 -3.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 5.8402 -1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 6.4710 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 6.5082 -2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 8.2329 -3.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 8.8233 -3.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 8.3812 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 7.7872 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 10.2030 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 10.5743 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4012 9.9401 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 17 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 17 83 1 6 18 84 1 0 18 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 25 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 57153 1 0 M END