HMDB0052525 RDKit 3D TG(18:2(9Z,12Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -7.2639 2.0782 -4.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0576 0.6868 -4.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 0.0705 -4.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 -0.3305 -4.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 -0.1927 -2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 0.5922 -1.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 1.3265 -2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 1.5383 -3.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 0.9658 -3.8092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.6835 -4.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 3.1205 -4.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 3.8549 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 4.8208 -2.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0176 5.3691 -2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6427 5.2342 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 5.9163 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 5.8123 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 4.4181 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 3.5129 0.8113 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0262 3.9761 2.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0546 2.5862 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5877 2.1051 4.2939 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0838 2.3145 4.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5612 1.3782 5.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 0.0419 5.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4078 -0.0819 3.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -1.0247 5.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 -2.3559 5.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -3.1099 4.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -2.5873 3.6096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 -3.7127 3.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 -3.1827 2.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4194 -4.1895 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 -5.4228 1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0058 -5.8966 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2857 -5.2434 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -4.9369 -2.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -5.4737 -3.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0734 -6.3686 -3.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 -6.0875 -4.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -5.9306 -6.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 -4.8843 -6.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -4.7953 -6.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8549 2.5383 5.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 1.7235 6.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 0.4896 6.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 2.3495 7.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 2.6243 6.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 1.3428 6.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.6258 5.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8135 0.3342 5.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 0.6510 4.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 -0.6321 4.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1987 -0.2679 3.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5641 -0.7290 2.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7983 -1.6703 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4005 -1.1548 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5563 -0.7678 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 -0.3177 -1.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 0.1004 -2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8868 1.2656 -2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3352 2.8585 -4.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2693 2.0854 -5.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 2.2888 -5.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 0.8079 -3.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9192 0.0110 -4.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 -0.0617 -5.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9599 -0.8047 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6304 -1.2973 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9021 -0.1054 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 0.5843 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 1.8791 -1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 2.6895 -3.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2598 1.3233 -4.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -0.1255 -3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8339 1.1932 -4.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 3.5755 -4.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 3.2496 -5.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 3.5147 -3.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 5.2439 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9108 6.4823 -2.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 5.0329 -3.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 5.7823 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 4.1996 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 5.5996 -0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 7.0133 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 6.3128 1.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3102 6.3696 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 2.0767 2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 2.1723 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.9503 4.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5766 2.0523 3.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 3.3174 4.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4269 -1.0118 6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 -0.7494 6.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0161 -2.3107 4.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7285 -3.0829 6.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 -4.1287 4.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 -3.3777 5.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5854 -1.7592 3.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 -2.3771 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8305 -4.6122 2.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 -3.8996 4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8978 -2.2799 2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -2.9661 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -3.7525 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 -4.4871 2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -5.9701 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -6.8427 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -5.7193 -1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 -4.2037 -0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -4.2732 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -5.1770 -4.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4665 -7.3104 -4.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 -6.9096 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9709 -6.8955 -4.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7768 -5.1690 -4.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 -6.9396 -6.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -5.9480 -6.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 -4.8826 -8.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 -3.8455 -6.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 -5.7527 -6.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4864 -3.9413 -6.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -4.5842 -7.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 3.2954 7.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 1.6858 8.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9613 3.2852 5.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 3.1073 7.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.6792 7.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1488 0.7947 5.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 2.1739 6.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 2.2548 4.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 -0.2404 6.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 -0.3014 4.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 1.2782 5.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 1.2204 3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -1.3377 4.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1855 -1.0563 5.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 0.4400 4.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5363 -0.3826 2.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4978 -2.5501 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9444 -2.1245 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -1.9398 0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7222 -0.2910 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 -1.6055 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1523 0.0474 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 0.5155 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 -1.1994 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7145 -0.7559 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5063 0.4225 -3.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2041 2.0532 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6134 0.9515 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 1.6549 -3.0144 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 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 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 21 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 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 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M END