HMDB0071947 RDKit 3D TG(10:0/a-17:0/a-17:0)[rac] 143142 0 0 0 0 0 0 0 0999 V2000 2.2381 9.7211 -4.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 9.2704 -3.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4061 8.0317 -3.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 7.6235 -3.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 6.3732 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6258 5.9046 -2.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1435 4.6022 -3.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 4.1132 -2.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 2.7716 -3.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5329 1.9326 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 1.8220 -4.2208 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 1.3358 -1.9773 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 0.5975 -1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 0.0402 -0.6053 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9369 1.2529 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 1.0273 1.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 0.9583 1.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.1092 0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 0.7319 3.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 1.0296 3.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7267 0.2267 2.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 0.5297 2.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 1.7783 2.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 3.0915 2.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 4.2431 2.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 5.5826 3.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 6.2680 2.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 5.6785 3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 6.5415 2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 5.7992 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 6.4549 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 7.8197 3.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 5.5645 3.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 4.2197 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 -0.9642 -0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -2.1720 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -2.4068 0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 -3.1653 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 -4.4466 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 -4.3208 2.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -5.6473 3.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2862 -6.2230 2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2769 -7.5804 2.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2436 -7.9840 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -9.3015 1.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8357 -9.6716 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -9.7629 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -10.1613 -1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 -10.2089 -3.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 -11.0756 -3.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -12.5288 -3.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2007 -10.4784 -3.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -11.4055 -3.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 8.8470 -4.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 10.4507 -4.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9898 10.1581 -3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 10.1105 -3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 9.0417 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1227 8.2595 -4.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 7.1900 -3.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 7.4094 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 8.4698 -3.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 6.5262 -4.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 5.5449 -3.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 5.7471 -1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 6.6980 -2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 3.8508 -3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 4.7843 -4.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1745 4.7849 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 3.9091 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 2.3578 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1387 2.9082 -4.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 1.3101 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 -0.1995 -2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 -0.2263 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 1.4389 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 2.0999 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -0.3497 3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 1.2845 4.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 2.0972 3.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 0.8430 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 -0.8519 3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 0.1222 1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7242 -0.3199 2.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 0.3237 4.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8911 1.8081 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7068 1.8291 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 3.2276 2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 3.1104 4.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 4.2885 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 4.0288 2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 5.5625 4.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5931 6.3127 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 7.3397 3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 6.4125 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 5.5964 4.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 4.6811 2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 7.4835 3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 6.7206 1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 5.6307 4.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 4.8047 3.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 6.5718 2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 8.0606 4.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 8.6050 3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2744 7.8207 5.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 5.3445 4.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 6.0438 3.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 3.7508 3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8185 3.5426 3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 4.3644 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 -3.4412 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -2.7531 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0086 -5.0475 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -5.0732 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 -3.5892 2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3626 -3.8878 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 -6.3146 3.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -5.5617 4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -5.5507 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 -6.3654 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 -8.3213 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 -7.4179 3.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -7.1912 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 -7.9858 0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 -10.1219 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -9.2525 2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 -8.8642 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -10.6212 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 -8.8346 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 -10.6642 -0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 -9.4024 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 -11.1207 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4521 -9.1618 -3.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5974 -10.4753 -3.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 -11.0650 -4.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 -12.9472 -3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8386 -12.7543 -2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 -13.0253 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -9.5548 -3.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 -10.1150 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -10.7801 -3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -12.2024 -3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 -11.8039 -4.7722 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 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 31 33 1 0 33 34 1 0 14 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 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 50 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 13 73 1 0 13 74 1 0 14 75 1 6 15 76 1 0 15 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 24 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 51136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 53143 1 0 M END