HMDB0049464 RDKit 3D TG(18:1(11Z)/20:3n6/18:3(9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 2.2070 -3.2317 9.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.4919 8.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 -2.2540 7.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -1.8949 6.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 -2.6943 6.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 -3.0397 4.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 -2.7092 3.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 -1.9308 4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 -2.8280 3.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -2.4240 2.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 -1.1013 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -1.3715 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6394 -0.3060 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 0.7681 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 1.8418 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 1.7641 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 1.2724 1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -0.0966 1.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2062 -0.7684 1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 -0.8425 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 -2.1365 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 -2.4166 -0.9533 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3671 -3.9418 -1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.1687 -1.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -5.3762 -2.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -6.4154 -2.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5316 -5.4520 -3.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -5.3119 -2.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0443 -5.3361 -3.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1593 -5.1651 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5621 -5.1894 -2.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0592 -4.2347 -3.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5753 -4.5640 -4.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9982 -3.5828 -6.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4050 -2.2422 -5.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -1.1700 -6.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6695 -0.5858 -7.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -0.8685 -7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4579 0.3562 -6.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.1272 -6.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 0.9712 -6.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 0.4687 -6.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 1.5535 -5.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 -2.1041 -0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 -1.2766 -0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -0.8611 -1.9138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 -0.8706 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4071 0.1985 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6442 0.7270 1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 1.7857 2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 1.2215 3.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9979 2.2418 4.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 2.8449 5.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3936 4.1150 5.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 5.2010 5.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 6.1178 4.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9321 6.4389 2.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 5.9117 2.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 5.2981 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 5.7769 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 6.8630 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 6.4061 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 5.8733 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 5.4354 -3.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5615 6.5135 -3.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 -4.0982 10.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 -2.9275 10.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -2.3587 9.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -4.0147 8.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 -4.2138 7.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 -1.6182 7.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 -0.9722 6.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 -3.5778 6.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -2.0046 6.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3308 -3.6153 4.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 -3.0090 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 -1.7249 5.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5714 -1.0215 3.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8713 -3.8195 4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4664 -3.0994 2.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 -0.7493 2.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 -0.3532 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 -1.9908 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4001 -2.1649 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 -0.8985 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7612 0.1031 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3752 1.3917 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 0.3875 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 2.5453 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 2.6263 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 1.3008 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 2.8831 1.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.4334 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 1.9998 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -2.4102 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -2.8378 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 -1.9478 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -4.1665 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -4.4377 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -6.4326 -3.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -4.6699 -4.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 -4.3890 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 -6.1747 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 -4.4108 -3.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0549 -6.2005 -3.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0006 -5.9818 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9062 -4.2156 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 -5.1894 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7479 -6.2260 -3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1767 -4.1792 -3.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6358 -3.2060 -3.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1041 -5.5640 -5.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 -4.7843 -4.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6788 -3.9222 -7.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1071 -3.5664 -6.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3727 -2.3124 -5.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9841 -1.9306 -4.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6954 -0.8714 -6.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9777 0.2127 -7.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -1.6820 -6.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 -1.0472 -8.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 1.0944 -7.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8029 0.7150 -5.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -0.4751 -7.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 -0.9865 -5.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 1.2645 -5.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 1.7994 -6.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6003 0.0917 -7.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -0.4057 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 2.4369 -5.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 1.2119 -4.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 1.9598 -6.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1049 -1.7697 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -0.5216 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -0.2769 1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 1.0175 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 1.2545 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2311 -0.0924 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 2.5854 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1976 2.1554 3.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 0.7365 3.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 0.4118 4.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 2.9546 4.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 1.6341 5.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8902 2.1181 5.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 4.3785 6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 5.8049 6.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 4.8535 4.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 6.5959 4.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 7.1572 2.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 5.1518 2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0777 6.7623 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8632 4.4737 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 5.2688 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 7.6725 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 7.3906 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 5.5872 -0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 7.2845 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 4.9456 -2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 6.6381 -3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 4.6326 -2.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 5.0164 -4.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 6.1977 -4.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 6.6830 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0818 7.4917 -3.5409 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 1 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 1 0 35 36 1 0 36 37 2 0 37 38 1 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 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 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 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 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 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 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END