HMDB0048232 RDKit 3D TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -5.9702 0.1599 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 1.5554 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4095 1.5772 -2.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9995 1.2225 -2.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 1.2043 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 0.1578 -5.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2561 -1.1671 -4.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8539 -1.5399 -5.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4114 -2.8613 -4.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 -3.1083 -3.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2828 -2.4067 -2.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 -0.9466 -2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0254 -0.5789 -1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 0.9059 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 1.3781 -0.9336 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 1.6941 -1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1799 3.0023 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3866 3.8848 -1.7971 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6522 3.1975 -3.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 3.3407 -3.4845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 2.7417 -4.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6786 2.0678 -5.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 2.7713 -5.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 1.7760 -4.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 2.0718 -2.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8947 0.9349 -2.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4002 1.0398 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 1.2941 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8954 1.2477 1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 2.1254 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 3.5942 1.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 4.2886 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 5.1304 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 5.4739 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 5.1286 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6344 5.8919 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 7.3909 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 7.9110 1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 9.4053 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 3.7238 -1.4111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 4.7576 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 5.9150 -0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 4.4831 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 4.2584 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4574 3.8579 1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 2.7084 2.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 1.7111 2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5457 1.3425 3.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 0.1178 4.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8315 -1.0153 3.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 -1.8460 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -3.0828 3.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -3.9346 3.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -4.9464 2.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 -6.2196 2.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 -6.8303 4.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -7.9568 4.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -9.1855 4.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -9.5110 4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -10.0789 5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -10.3455 5.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 -11.3284 4.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -11.0411 3.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5198 -0.1476 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8762 0.1017 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2356 -0.5890 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6047 2.2914 -0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3518 1.8450 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7642 2.5342 -2.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1408 0.8085 -2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 2.0491 -2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 0.3157 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1675 2.1372 -4.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5862 0.2412 -6.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2648 -1.2526 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9429 -1.9157 -5.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 -1.5754 -6.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 -0.6974 -4.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 -3.1473 -5.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1199 -3.6541 -5.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2939 -2.9645 -2.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 -4.2414 -3.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2673 -2.8944 -1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -2.7341 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1357 -0.5724 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.3808 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 -1.0692 -0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 -0.8385 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 3.3053 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 3.3368 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7782 4.8956 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 3.7703 -3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 2.1506 -3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 3.8119 -5.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 2.5717 -6.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 0.7463 -4.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 1.8070 -4.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 2.9899 -2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 2.1777 -2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.7216 -3.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2307 0.0170 -2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9692 0.1166 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 1.8502 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.4645 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 2.2320 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 0.1743 1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 1.3260 2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 1.8372 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 1.7775 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0057 3.9482 1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 3.9766 2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 4.1638 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 5.6490 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 5.1398 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 6.6217 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 5.2546 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0913 4.0388 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 5.6764 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 5.5968 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 7.7924 -0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7638 7.7326 0.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 7.3930 2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 7.6935 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 9.9107 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 9.7103 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 9.8061 2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8064 5.3329 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 3.5856 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 3.7315 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 5.3302 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3092 4.5506 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 2.5226 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 2.2100 2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7299 0.8814 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 2.1329 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4945 -0.1375 5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 -1.5641 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 -0.6787 2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -1.3233 2.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -3.6260 3.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -3.3340 3.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 -4.3334 4.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 -4.5613 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5573 -6.8355 1.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -7.0317 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4799 -6.0600 4.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -7.7929 4.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 -9.9723 4.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 -8.7408 3.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 -10.3845 3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -9.4748 6.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -11.0958 5.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -10.6234 6.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -9.3744 5.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2229 -12.3540 4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3297 -11.5180 4.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6959 -11.7037 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -11.3419 2.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -9.9838 2.8982 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 1 0 21 22 2 0 21 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 2 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 18 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 6 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END