HMDB0042121 RDKit 3D TG(14:0/16:0/14:0) 143142 0 0 0 0 0 0 0 0999 V2000 -4.8040 -0.6035 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 -1.5790 -2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -1.9908 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -2.9744 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 -2.3578 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3164 -3.2591 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 -3.7961 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1319 -2.9412 2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -1.9932 2.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 -1.2378 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 -0.4327 3.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 0.6282 2.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 1.5605 2.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 2.6690 2.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 3.7052 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 3.3292 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 2.2317 0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9039 4.3048 0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 4.0006 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2513 4.9338 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 5.0508 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 3.9972 -3.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 2.8651 -2.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 4.0401 -4.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 3.3712 -3.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1442 4.0079 -2.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 5.4257 -2.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0951 6.2598 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 6.0303 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 4.7807 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 4.8966 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5952 3.6982 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4749 2.3913 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8948 1.2223 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3172 1.2922 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3001 1.3343 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 3.8718 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 2.8175 1.4056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 2.2802 2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 2.7414 2.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4525 1.1400 3.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6393 0.1899 3.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1197 -0.2261 1.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 -1.2401 2.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -1.6333 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6281 -2.1038 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 -3.3029 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 -3.5047 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 -4.6318 -0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -6.0213 -0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 -6.7418 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5794 -6.4779 -1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -6.8812 -2.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -0.1704 -3.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 0.2346 -1.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -1.0805 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 -2.4192 -3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -0.9852 -2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.0444 -0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 -2.3746 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9406 -3.1958 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 -3.8777 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 -2.2320 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 -1.3401 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -2.7708 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -4.1243 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.4996 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 -4.5415 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -3.6466 3.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 -2.4606 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -2.5762 2.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5405 -1.2634 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -2.0335 4.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -0.6421 4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5802 0.1227 4.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 -1.0148 3.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 1.0783 2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.1329 1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 1.8991 4.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6976 0.9252 3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 2.2976 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 3.2103 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 4.3582 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7984 4.4611 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 2.9535 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 5.9752 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 4.6550 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 5.0905 -4.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1794 3.4670 -5.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 2.2754 -3.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 3.4570 -4.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 3.9460 -1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 3.3325 -2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4656 5.8977 -3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 5.4801 -3.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 7.3624 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 6.2898 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 6.9119 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2307 6.1572 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0624 4.7409 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 3.8945 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7958 5.0258 -0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 5.7775 0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0464 3.6597 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6736 3.8486 0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 2.2599 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 2.3810 -0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7521 0.2874 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2635 1.1256 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5613 0.3975 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5149 2.2313 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2606 0.8877 0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9514 0.7468 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5338 2.3981 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 3.6710 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 4.8412 1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 0.5751 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 1.4833 4.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 0.7062 3.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2474 -0.6708 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 -0.6871 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 0.6627 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8826 -2.0993 2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0608 -0.7786 2.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 -2.3675 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1513 -0.7064 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0907 -2.3921 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9628 -1.2462 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3087 -3.0569 1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4067 -4.1895 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1479 -2.5533 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -3.4099 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -4.5041 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -4.3299 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -6.1833 -2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 -6.6522 -0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -7.8734 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -6.6028 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9344 -5.4597 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -7.1412 -0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 -6.6429 -3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 -7.9605 -2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -6.2476 -3.1380 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 34 35 1 0 35 36 1 0 19 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 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 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 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 20 86 1 0 20 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 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 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 50136 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