HMDB0053017 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) 175174 0 0 0 0 0 0 0 0999 V2000 8.3902 0.2700 2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 1.7276 2.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9579 2.2520 3.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7451 2.1138 2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 0.8840 1.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -0.2094 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 -1.4555 1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0993 -2.0266 2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0693 -2.7073 3.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -3.9913 3.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 -4.7970 3.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4506 -5.8772 2.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 -5.9866 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -5.0855 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 -5.9124 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1037 -5.0966 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -4.0706 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 -3.2638 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -3.5062 -1.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 -2.3189 0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 -1.5541 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -0.6353 0.5685 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8524 0.3122 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.0305 -0.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.9733 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 2.2875 0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 2.6255 -1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 2.1974 -2.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 2.8438 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0943 2.3049 -4.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 2.7171 -6.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 4.1048 -6.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 4.8255 -6.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6603 5.1905 -4.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5688 6.1897 -4.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6261 6.4593 -2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 7.5095 -2.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 7.8025 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 7.6058 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 7.0724 -0.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 8.0563 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 7.9047 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 6.6849 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 6.6795 1.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2032 7.1702 2.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 8.5834 3.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 9.3976 2.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 0.0965 -0.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3048 -0.0794 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6088 -0.9812 1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3021 0.7634 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6479 0.1700 -0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6881 -0.9789 -1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8805 -2.0941 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8061 -2.5240 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -1.8518 -3.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 -2.4488 -4.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -3.6134 -4.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 -4.7421 -4.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -5.9499 -4.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -6.6644 -3.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 -6.4596 -1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4902 -7.7293 -1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5568 -7.7282 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 -7.5846 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 -7.6103 2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0105 -8.9074 2.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1565 -8.8850 4.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 -7.7364 4.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 -0.1099 1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4363 -0.0758 2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -0.2314 3.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5545 2.2249 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 2.0673 3.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 3.3696 3.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 1.8602 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9963 2.9017 2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 2.6473 1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1498 1.2341 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 0.5591 2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0966 0.0493 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 -2.1380 0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 -1.1116 3.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 -2.5043 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -2.1160 4.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -4.4820 4.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 -4.3443 3.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -5.3993 4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -6.5756 3.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 -6.8136 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -4.2593 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -4.7341 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 -6.6903 -0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 -6.4596 0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 -4.5967 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -5.8410 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 -3.3304 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 -4.5864 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 -2.2001 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.8761 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2723 -1.3211 1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -0.2851 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2517 0.9650 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 2.3225 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 3.7189 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 2.4501 -2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 1.0929 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 2.4842 -4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 3.9092 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 1.1617 -4.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 2.2379 -4.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3706 2.2769 -6.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 2.1224 -6.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 4.6885 -6.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 4.0795 -7.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 4.1370 -6.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 5.7336 -6.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6428 5.7603 -4.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7326 4.3813 -3.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5877 5.9496 -4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8651 7.1463 -4.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 5.5534 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 6.8010 -2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0237 8.4602 -2.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 7.3903 -2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4324 8.2113 -0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 7.8375 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 6.8092 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 6.1279 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 9.0519 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 8.7594 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 6.2930 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 5.8123 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 5.5618 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 7.0707 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 6.5425 3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 6.8061 3.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8144 9.1886 3.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 8.6050 4.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2431 8.9074 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 10.2317 2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 10.0376 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9529 1.1439 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4586 1.7068 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 0.9532 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0035 -0.2023 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -1.2787 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -0.6258 -2.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1628 -2.6458 -0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2328 -3.3762 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8393 -0.7950 -3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -1.5069 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 -1.7556 -5.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 -3.8539 -5.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 -4.5623 -2.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2812 -5.0124 -4.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3138 -6.2738 -5.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2595 -7.5726 -3.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4746 -5.5821 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -6.3702 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5003 -7.8492 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9044 -8.6154 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9297 -8.7582 0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2917 -7.0341 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 -8.4242 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 -6.6626 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 -6.7958 2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -7.4801 2.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3858 -9.7635 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0272 -9.0805 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -9.8279 4.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1722 -8.8458 4.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8094 -7.4933 4.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 -6.8336 4.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5591 -7.9107 5.8083 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 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 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 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 1 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 69175 1 0 M END