HMDB0048583 RDKit 3D TG(16:1(9Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 143142 0 0 0 0 0 0 0 0999 V2000 1.5301 -0.1361 3.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 1.2012 3.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 1.3155 1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 1.4588 0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 1.5258 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 0.4722 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 0.6408 -0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 1.9330 -1.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4924 2.2862 -2.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 3.3651 -3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 4.5670 -2.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 5.0799 -2.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 5.3084 -2.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 5.0484 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 4.1364 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 4.8170 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 3.8383 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 2.6962 -1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 2.7216 -2.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 1.6188 -1.5337 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 0.6089 -2.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.0978 -2.2628 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9031 -0.7801 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -1.9013 -0.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -2.2366 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -1.3159 -0.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 -3.6078 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -3.7985 0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 -2.8802 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -3.2984 2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 -2.3634 2.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -2.6940 4.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 -1.6964 4.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 -2.0150 6.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0598 -1.2155 7.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3766 0.0806 6.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 1.2624 7.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 2.5670 7.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 2.8560 5.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 4.1865 5.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 4.3991 4.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -1.0963 -3.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 -0.9079 -3.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 0.1501 -3.5385 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -1.8602 -4.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4807 -1.3065 -5.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5693 -0.9493 -4.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7491 -0.4232 -5.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8626 0.0710 -4.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4774 -0.8977 -3.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0772 -2.1009 -4.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7446 -2.9151 -3.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3872 -4.1289 -2.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -4.9504 -3.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3375 -5.3576 -2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2294 -6.2261 -2.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8013 -7.5219 -3.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -0.8593 3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 -0.5992 4.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 0.0413 4.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 1.9792 4.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 1.2416 3.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 1.2798 1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 1.4932 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 1.2617 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0318 2.5501 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9793 -0.5410 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 -0.2546 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3634 2.7200 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 1.8159 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7604 1.4798 -3.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 3.4679 -4.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 4.4616 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 5.3455 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 5.3177 -4.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 5.7289 -2.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 6.0000 -0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 4.5369 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 3.7926 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 3.2801 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3623 5.0017 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 5.7678 -0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 4.3952 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 3.5323 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2361 0.0997 -2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 1.2633 -3.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 0.6909 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 -1.0584 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6709 0.0239 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4872 -3.8020 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 -4.3626 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 -3.6737 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -4.8435 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -2.9987 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -1.8106 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 -3.2965 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -4.3172 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -1.3167 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 -2.6003 2.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.6799 4.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 -2.7966 5.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4789 -1.9192 3.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 -0.6658 4.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.9693 6.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -1.4790 8.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 0.2524 6.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6315 0.0681 7.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6314 1.1739 8.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 1.2109 6.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 3.4123 7.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 2.4438 7.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 2.0912 5.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9729 3.0127 5.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 4.1341 6.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 5.0277 6.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 5.4972 4.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9931 3.8726 3.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 4.0631 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -2.8617 -4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4807 -2.1355 -5.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 -1.9638 -6.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -0.3653 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3137 -0.2490 -3.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0184 -1.8622 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1256 -1.3331 -5.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3910 0.3285 -5.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5443 0.9939 -3.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7014 0.3933 -5.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7652 -1.2608 -2.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2675 -0.3641 -2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -2.6326 -4.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8493 -1.7921 -4.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5644 -2.3981 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9657 -4.6326 -1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8560 -4.5568 -4.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8297 -5.9179 -3.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9634 -4.4195 -1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8611 -5.8995 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6114 -5.7755 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -6.4179 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9524 -8.1852 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4765 -7.9298 -2.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4077 -7.2596 -4.2602 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 1 0 33 34 1 0 34 35 2 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 22 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 1 23 88 1 0 23 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 41118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 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 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M END