HMDB0048347 RDKit 3D TG(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 159158 0 0 0 0 0 0 0 0999 V2000 4.4357 -7.3217 7.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -5.8694 6.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6150 -5.2847 7.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -4.8357 7.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 -4.8574 5.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 -3.4735 5.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 -2.6825 4.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -2.9214 3.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 -4.1964 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 -4.4204 3.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -3.4050 3.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 -2.8997 2.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4536 -3.1583 1.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1232 -4.1131 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 -3.4457 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 -3.5525 -2.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 -4.3292 -2.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2541 -3.2523 -3.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 -3.5926 -3.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -2.3148 -4.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1046 -2.2001 -4.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -0.6218 -4.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -0.0421 -5.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -0.0019 -3.5818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 1.4135 -3.3474 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5183 1.9482 -3.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 3.3149 -3.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 4.2755 -3.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5661 3.9515 -3.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 5.6996 -2.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 5.7854 -2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 5.4498 -4.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 6.4716 -5.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 6.3056 -6.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 6.1888 -7.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3922 7.2666 -6.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 7.4647 -5.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 7.3707 -4.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 7.0529 -5.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 5.7342 -5.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 4.7017 -5.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 3.3518 -4.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 1.5084 -2.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 2.6497 -1.3988 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 3.3429 -1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 3.0648 -2.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 4.5162 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 3.8170 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6698 4.4267 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 4.5284 2.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 3.2055 2.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 3.1726 2.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 1.8943 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 0.6300 2.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 -0.4855 2.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7902 -0.6507 2.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 -1.7806 3.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 -3.0420 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2453 -4.0877 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6168 -4.3736 2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4544 -5.2839 1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9896 -6.6709 1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -6.8272 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 -7.6625 7.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 -7.9357 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -7.3505 7.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -5.3894 6.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8702 -5.8471 5.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -5.2258 8.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4719 -4.3813 7.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 -5.4640 5.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 -5.3665 5.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3623 -2.9956 6.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7925 -1.6038 4.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1601 -2.6282 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 -2.0609 3.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -5.0479 2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3483 -5.4760 2.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -3.8125 4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -2.4923 3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -2.0672 2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -2.5865 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 -4.5022 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -5.0072 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 -2.8352 -0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 -3.0490 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 -4.7722 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -5.1399 -3.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -2.4802 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 -2.8111 -3.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -4.3086 -4.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 -4.1148 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 -1.6783 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.7077 -4.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2204 -2.6072 -5.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8998 -2.3932 -3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6985 1.8983 -4.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 1.7371 -4.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 1.4003 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3806 6.3844 -3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1658 5.9823 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 6.8420 -2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 5.1601 -2.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 5.3895 -4.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 4.4069 -4.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 6.3251 -5.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 7.4886 -4.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 5.4518 -7.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 7.2135 -7.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 6.1238 -8.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 5.1693 -6.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 8.2410 -7.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 7.2385 -7.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0253 7.7345 -4.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 7.5344 -3.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 6.9155 -6.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 7.8202 -5.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 5.5004 -5.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 5.8984 -4.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 4.6676 -6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 5.0432 -4.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 3.4228 -4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 2.6674 -4.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 2.9629 -5.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 0.9941 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 0.7197 -2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 4.8463 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 5.2867 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 3.7376 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 2.7247 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 3.7577 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 5.4240 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 4.7438 3.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 5.3367 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 2.8418 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 2.3980 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 4.0176 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 3.1061 4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 1.9567 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 1.8191 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 0.3380 3.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 0.6660 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.1282 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7989 -1.3789 2.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 0.2138 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3341 -1.7960 3.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 -3.4618 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -3.0231 2.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 -5.0118 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 -3.7039 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5285 -4.7573 3.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -3.3829 2.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -5.3642 2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -4.7939 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9407 -7.2293 2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7631 -7.2579 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 -7.1744 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8094 -7.6813 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4836 -5.9064 0.2035 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 2 0 16 17 1 0 17 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 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 25 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 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 2 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 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 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 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