HMDB0045335 RDKit 3D TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 167166 0 0 0 0 0 0 0 0999 V2000 0.2248 -1.2777 -9.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 -0.0798 -8.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.5326 -7.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 0.6304 -6.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 0.1571 -5.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 1.2454 -5.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 1.2853 -3.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 2.4181 -3.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1354 1.8019 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 1.8689 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 2.5684 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 3.5781 0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 3.5389 1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 2.4769 2.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2023 1.6671 3.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6018 0.5286 4.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -0.2920 4.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0963 -1.4577 5.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -1.9497 6.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -2.0303 5.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 -3.1192 5.6522 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8058 -4.1419 4.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 -4.6209 3.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 -3.8492 2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 -2.6498 2.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -4.2900 1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 -4.7583 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -3.6406 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8681 -3.6048 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -4.7781 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -4.5184 1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 -4.6555 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 -5.0744 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -4.0256 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1495 -4.3730 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -3.5303 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 -3.5532 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9181 -2.5416 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5446 -1.1287 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3213 -0.4604 2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4701 -1.0748 3.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2568 -0.4002 4.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2213 -0.8864 5.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -2.2983 5.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 -2.5251 6.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 -3.9157 7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -2.4656 6.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -2.0188 4.8881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.5065 4.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -1.4206 5.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2019 -1.0294 3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 -1.1086 3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -0.5923 1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 0.9182 1.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 1.6287 2.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 3.0892 2.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0707 3.9122 1.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 3.9568 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 4.3247 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 4.4740 -1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 4.8682 -2.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1257 5.1078 -3.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1055 5.5154 -4.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 5.8144 -6.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 6.2205 -6.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 5.0909 -6.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 3.8887 -7.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 -1.3799 -10.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 -2.1895 -8.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -1.1000 -9.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0095 0.6883 -9.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 -0.3026 -8.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 0.9422 -8.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 1.1235 -5.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -0.4162 -6.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -0.5080 -4.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 2.0553 -5.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 0.5233 -3.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 2.8555 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 3.1546 -3.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 1.2192 -3.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 1.3551 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 3.2025 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 1.8950 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 4.3689 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2639 4.2921 2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 1.8673 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 3.0081 3.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9054 1.2501 2.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 2.3409 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8633 -0.0594 3.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 1.0431 4.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4357 -0.6470 3.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2776 0.2848 5.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 -3.4880 6.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -3.7486 4.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4519 -5.0619 5.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5798 -5.1510 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 -3.5069 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 -4.9860 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5919 -5.7037 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.7111 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 -2.6927 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -5.0779 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -5.6767 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -4.1802 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 -4.4342 2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2937 -5.3072 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 -6.0137 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 -3.0015 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -5.4539 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6638 -3.9278 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8845 -2.5096 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8122 -4.5509 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7582 -2.7586 1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3404 -0.5920 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 -0.9639 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0186 0.5841 2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7559 -2.1172 3.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 0.6905 4.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2192 -0.3088 5.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1796 -0.6848 5.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 -0.2522 6.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2689 -2.4522 6.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -3.0222 5.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -1.8245 7.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -2.2792 6.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 -4.7037 6.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 -4.0878 7.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8999 -4.0777 8.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -3.3582 6.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -1.7221 6.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 -1.5989 2.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 0.0155 3.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -0.6343 3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 -2.1905 3.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 -0.7053 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -1.0819 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3675 1.2436 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 1.0647 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 1.3319 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8569 1.2492 3.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 3.4826 3.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 3.3100 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 3.7750 2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 5.0161 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7714 4.7720 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 3.0697 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 3.5221 0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 5.2609 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 3.4783 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 5.1904 -1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0338 4.0473 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2993 5.7629 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 4.1376 -4.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 5.8809 -3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 6.4427 -4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 4.6423 -4.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 4.9120 -6.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 6.6349 -6.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 6.5908 -7.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 7.0778 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 5.3907 -7.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3385 4.7625 -5.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 3.2077 -7.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 4.2279 -8.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 3.4061 -6.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 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 2 0 24 26 1 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 3 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 3 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 21 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 21 95 1 1 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END