HMDB0047900 RDKit 3D TG(14:1(9Z)/14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 147146 0 0 0 0 0 0 0 0999 V2000 4.6008 -3.3308 5.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1078 -3.3633 5.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -2.4975 4.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -1.0427 4.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3957 -0.6470 5.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -0.2304 6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.0953 6.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.2359 7.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 2.3830 6.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 2.8379 6.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 4.0392 5.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 4.6352 4.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 3.7273 4.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 3.2139 2.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 2.4248 2.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 3.5332 1.5342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 2.9908 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 3.5031 -0.8547 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6423 3.0124 -2.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 1.6582 -2.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 0.7952 -2.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 1.2150 -2.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.6428 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2977 -1.4365 -2.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -2.8405 -3.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3476 -3.7628 -2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 -3.5367 -1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 -3.7385 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 -4.6441 0.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -5.6227 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 -5.4293 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 -5.2128 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -5.1509 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8492 -4.0444 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2347 -2.8808 -1.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1952 -2.3353 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3953 -1.0504 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3289 -0.7829 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -1.6716 1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6295 -0.9483 3.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 -1.7263 4.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4167 -1.9019 3.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -0.5260 3.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 3.1650 -0.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 4.1484 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 5.3479 -0.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 3.9624 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4307 3.5812 -2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0375 4.6445 -3.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 4.1948 -4.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2607 5.0919 -5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7598 5.1878 -5.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 3.8095 -6.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6986 3.1774 -7.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 2.8208 -8.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4724 2.9884 -8.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 1.6200 -8.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 1.7461 -8.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2829 0.3772 -9.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 -2.9333 6.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 -2.7388 4.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -4.3683 5.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -3.0385 6.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 -4.4159 4.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 -2.8156 3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -2.5501 3.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 -0.3986 3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1544 -0.9717 4.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 -0.7134 5.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 0.0301 7.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9789 -0.5386 5.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 -0.8004 7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 1.4769 8.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0825 1.0968 7.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 3.2589 6.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 2.1540 5.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 2.0818 5.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 3.2342 7.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 4.8169 5.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 3.7529 4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 5.0426 5.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 5.5079 4.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 2.9172 4.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1939 4.3262 3.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 3.2663 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8673 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 4.6232 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 3.5705 -2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 3.4171 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 -0.7765 -3.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4783 -1.0738 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -1.1761 -2.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 -1.0900 -4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 -3.0568 -3.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 -4.7746 -2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 -2.5144 -1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2642 -4.2107 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2854 -3.0756 0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2096 -4.7048 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 -6.6291 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -5.7149 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 -5.4601 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8853 -5.1179 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0464 -6.0452 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4129 -5.5210 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9759 -4.2416 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6567 -2.1531 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7641 -2.9273 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2338 -1.9706 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8261 -0.2846 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 0.2395 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 -1.6960 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0704 -2.6499 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.0804 3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7007 -0.9062 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -1.1595 5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 -2.7047 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 -2.5667 2.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -2.3558 4.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 0.0732 4.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2945 0.0165 2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.6433 3.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 4.8616 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1457 3.1117 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 3.6299 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 2.6093 -2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 5.6103 -2.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 4.7435 -3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 4.2033 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3307 3.1438 -4.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 6.0982 -5.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 4.6790 -6.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 5.7627 -6.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 5.7175 -5.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4327 3.1739 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 3.9858 -6.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8075 3.0118 -7.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 2.3548 -9.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 3.4797 -7.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 3.5490 -9.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7492 1.1204 -9.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 0.9977 -7.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0939 2.2309 -7.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 2.3531 -9.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 0.2936 -9.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 -0.3758 -9.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 0.1411 -8.2124 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 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 42 43 1 0 18 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 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 17 86 1 0 18 87 1 1 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 43122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 59147 1 0 M END