HMDB0053097 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3n6/18:3(6Z,9Z,12Z)) 161160 0 0 0 0 0 0 0 0999 V2000 6.6267 -4.3084 0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 -3.0461 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7682 -1.8246 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 -0.5643 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8233 -0.4457 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 0.8757 -2.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 1.0792 -3.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 0.0426 -3.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 0.1930 -5.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 0.4712 -6.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 0.6704 -6.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -0.2820 -7.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -1.1927 -7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 -1.5012 -5.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 -1.2994 -5.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2363 -1.7231 -4.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -1.4528 -5.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -1.9796 -4.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9364 -1.6426 -2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 -0.3535 -2.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 -0.3751 -1.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2015 0.8718 -2.8345 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 2.0634 -2.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3639 3.0122 -3.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 3.3612 -4.2654 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3694 4.2168 -5.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2814 4.9612 -5.5715 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 4.1757 -6.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 4.4470 -5.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 4.0958 -5.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 4.3723 -4.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 3.8552 -3.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 2.8206 -2.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 1.8822 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 1.8453 -1.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 0.7511 -1.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 -0.4102 -1.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 -1.5736 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 -2.7142 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -2.9944 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 -4.2148 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 -5.3676 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -6.6619 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -7.6942 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 2.8687 -1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 2.9329 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 3.7075 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8805 4.3704 -0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 3.7768 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 4.8741 2.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 4.9206 4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7469 3.5673 4.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 3.4257 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5863 3.2277 5.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 3.1060 6.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 1.7802 7.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2763 0.7694 7.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1823 0.7183 7.7435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3961 0.4498 9.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 -0.6567 9.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -1.7102 8.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -1.9158 8.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5038 -3.0351 8.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9589 -3.2325 8.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5737 -4.3242 7.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 -4.5697 1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 -4.1395 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 -5.1846 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 -3.0020 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6255 -3.1325 -1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8743 -1.9683 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4143 -1.8489 1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 0.2946 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -0.3473 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -1.3063 -2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9572 -0.4711 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9436 1.7297 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5379 2.1395 -3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 0.2164 -3.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 -0.9285 -3.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5796 0.0601 -5.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 0.5656 -7.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 0.7266 -5.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0361 1.6942 -6.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9629 -0.1534 -8.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.8316 -7.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -2.5737 -5.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -0.8107 -4.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.2092 -6.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 -1.8014 -6.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -2.8338 -4.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 -1.2777 -3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -0.3572 -5.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -1.8989 -6.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 -3.1404 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 -1.8482 -4.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9544 -1.9186 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 -2.4740 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 1.8726 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2076 2.4055 -3.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 3.8156 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1705 4.9691 -6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0032 3.1976 -6.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 3.9314 -4.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 5.5344 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 2.9898 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 4.5719 -6.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 5.4873 -4.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4479 3.9395 -4.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 4.4337 -2.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 2.6470 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0152 2.4257 -3.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 0.9509 -3.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 2.7265 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 0.6982 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -0.5536 -0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8677 -0.2520 -2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -1.5021 -2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 -3.5067 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -3.3849 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -2.2589 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 -3.9359 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1121 -4.4631 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 -5.2456 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -5.5621 0.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 -6.4788 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -6.9272 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 -8.4473 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -7.2008 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 -8.1451 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 3.8838 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 2.3523 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 4.1373 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 2.8188 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0594 4.8075 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4424 5.8794 2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 5.6716 4.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2799 5.1369 4.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 2.7462 4.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 3.6746 5.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 3.4747 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 3.1316 4.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 3.8612 7.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 3.3316 7.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 1.7117 6.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9022 -0.1288 7.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 1.7798 7.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 0.0348 7.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 1.1812 9.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.7470 10.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 -1.5948 7.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 -2.7176 9.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 -2.2264 9.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5666 -1.0050 8.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -3.9541 8.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 -2.8090 6.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0605 -3.5170 9.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4739 -2.2485 8.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5737 -4.0132 7.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7072 -5.2373 8.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 -4.5730 6.6227 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 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 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 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 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 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END