HMDB0045343 RDKit 3D TG(18:0/20:4(8Z,11Z,14Z,17Z)/18:0) 171170 0 0 0 0 0 0 0 0999 V2000 -5.1654 -4.6051 0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 -4.4813 1.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 -3.5925 2.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -2.4661 3.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 -1.9780 2.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 -1.8309 3.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 -0.7065 4.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 0.6174 3.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 1.0296 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 1.2459 1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 1.1167 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0702 2.4840 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 2.6034 -1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.5095 -2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.7146 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 2.9398 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8889 2.8683 -3.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 3.0777 -2.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1628 2.7777 -2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 1.3072 -2.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5767 0.9775 -4.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 0.3799 -1.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 -1.0032 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 -1.4726 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 -2.8085 -2.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 -3.2641 -2.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -2.3745 -2.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7003 -4.6166 -2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3588 -5.1157 -3.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 -4.6116 -4.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 -3.2760 -4.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 -2.8484 -3.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -3.0089 -2.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 -2.4882 -1.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -1.0417 -1.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6928 -0.3218 -1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0719 -0.7037 -1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 -0.6105 -3.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8408 -0.8938 -3.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5106 -2.1260 -3.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1277 -3.4472 -3.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7568 -3.9297 -3.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5563 -5.3616 -3.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1569 -5.7696 -3.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 -1.7518 -1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 -1.7048 -0.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -2.3521 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -2.9316 0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -2.4222 2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3049 -1.0912 3.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -0.2194 2.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4894 1.1258 3.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 2.0093 3.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 2.2801 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 3.2021 1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 4.5498 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 5.4012 1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 4.9330 2.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 4.8667 3.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3825 4.4181 4.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2635 5.3559 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0172 4.8948 4.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 4.8876 6.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 6.2618 6.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 7.3022 6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -5.3482 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -3.6432 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1591 -4.9289 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2332 -4.2153 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 -5.5470 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7908 -3.8944 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -1.8188 3.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 -2.6382 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -0.9769 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 -2.7626 4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.7471 5.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 1.3823 4.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 0.6467 2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 1.1474 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 1.5461 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7024 0.3297 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 0.9731 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 3.3056 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 3.6093 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9358 1.6059 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 0.4943 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 1.7469 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 0.8481 -3.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 3.8762 -2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 2.9320 -4.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 3.6234 -4.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 1.8695 -4.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 4.2077 -2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 2.6570 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6698 2.9633 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 3.4242 -3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3487 -1.1227 -3.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -0.8819 -3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -1.1310 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -5.2652 -1.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -4.9558 -3.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 -5.1710 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 -6.2523 -3.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2945 -4.8189 -5.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2536 -5.3387 -4.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0663 -2.4984 -4.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 -3.1139 -5.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 -1.7811 -4.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -3.3948 -4.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 -4.1346 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -2.7119 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2227 -3.1357 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -2.6121 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 -0.7970 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5706 -0.5710 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 0.7947 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 -0.3677 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3881 -1.7056 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 0.0123 -1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2911 0.5055 -3.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6587 -1.0988 -3.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -0.6747 -4.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4316 -0.0350 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6108 -2.2354 -1.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6290 -1.9503 -3.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8287 -4.2009 -3.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3624 -3.6140 -4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9317 -3.3728 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6764 -4.0247 -2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3259 -6.0329 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5315 -5.2253 -4.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0536 -6.8594 -3.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8791 -5.4464 -2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -5.2865 -4.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0309 -2.7888 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -1.3181 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7345 -3.1751 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -2.8206 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 -1.2210 4.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 -0.6622 2.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3813 -0.7613 3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -0.1473 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4302 1.6217 2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5801 0.9886 4.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 2.9609 3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 1.5265 3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 2.7484 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 1.3493 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 3.3395 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 2.7413 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 5.0281 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 4.5260 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0646 6.4339 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 5.4578 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 3.9466 2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8174 5.6929 2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 4.1768 4.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 5.8602 4.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 4.3935 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 3.3998 4.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 6.3899 4.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 5.3375 3.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9113 5.4343 4.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 3.8150 4.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 4.6294 6.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 4.1761 6.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 6.1516 7.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 6.6149 6.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 8.1053 7.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4201 7.8251 5.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 6.9431 6.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 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 2 0 26 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 36 37 1 0 37 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 65171 1 0 M END