HMDB0053428 RDKit 3D TG(20:2n6/20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)) 173172 0 0 0 0 0 0 0 0999 V2000 2.0152 -11.1655 -7.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -10.0853 -7.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -8.9113 -6.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 -8.3888 -5.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -8.9452 -4.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -9.2872 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4184 -8.7114 -2.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 -7.7194 -2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9913 -6.4309 -1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7874 -5.7926 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1065 -6.2244 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -5.2102 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2962 -4.5415 1.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -4.7576 2.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 -3.5890 3.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0934 -2.3250 3.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 -1.6371 2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.2251 3.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 0.6532 3.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 2.0378 3.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 2.2772 4.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 3.0986 2.8523 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 4.3913 3.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 4.8854 3.4887 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8756 5.6101 4.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 5.6740 4.9625 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 4.6488 5.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 3.4707 4.9376 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 4.7785 5.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1781 3.4003 5.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3819 2.9189 3.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 1.4791 4.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 0.8341 2.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 0.8151 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 0.3159 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.4090 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 0.0908 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -1.2104 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 -1.3920 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -0.2325 -0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 -0.3172 -2.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -0.3614 -2.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4156 -0.3310 -0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 -1.6368 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 -1.6923 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8824 -3.0071 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7241 -3.0527 -0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 5.3214 2.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 4.7703 1.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7766 3.5593 1.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 5.6583 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 5.0187 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1482 4.1594 -1.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 3.4944 -3.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 3.6490 -4.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 4.5094 -4.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 3.6855 -5.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 3.5886 -5.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 4.2118 -5.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 5.1155 -4.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6646 4.9329 -3.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 3.8013 -3.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4854 3.1661 -1.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0161 4.1894 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1464 3.6268 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9196 3.1501 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3133 2.5521 2.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0626 3.4943 3.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3736 4.7677 3.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -11.8962 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 -11.6641 -8.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -10.6949 -7.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -10.4676 -6.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 -9.7614 -8.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 -8.4721 -7.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 -7.5047 -5.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 -9.8889 -5.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -8.1663 -4.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 -10.0382 -3.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -8.9323 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -8.0625 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 -7.6403 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 -5.9995 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 -4.8316 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -6.2654 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 -7.2250 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -5.0594 -0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -3.8264 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1597 -5.6844 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -4.9071 3.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 -3.3849 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2581 -3.9893 3.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4462 -2.5472 4.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 -1.6417 3.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -2.2105 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0048 -1.6967 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.1728 2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 -0.2686 4.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 0.6487 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6608 0.2179 3.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 4.2190 4.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 5.0663 3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0261 3.8287 3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 5.1717 5.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 6.6915 4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0123 5.4804 4.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 5.1253 6.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 2.6288 5.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1804 3.3370 5.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 2.9717 3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 3.5165 3.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 0.8795 4.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5401 1.3739 4.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4693 1.1827 2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 -0.2671 3.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 0.1474 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 1.8533 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -0.7603 1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 0.8630 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 1.4462 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -0.2468 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.9539 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8274 0.1104 -2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -2.1401 -1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0942 -2.4236 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 0.6888 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -0.4787 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -0.3418 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 -0.4257 -2.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 0.5145 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -0.2001 0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -1.6200 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -2.4484 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9239 -0.9077 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -1.5154 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -3.2062 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -3.8449 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7204 -3.4417 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -2.0134 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3025 -3.7231 -1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8642 6.3209 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5514 6.4330 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4946 5.7763 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 4.3791 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 4.7652 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 3.3816 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 2.7752 -2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 3.0188 -5.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 5.3544 -5.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 5.0201 -4.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 3.0283 -6.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 2.7982 -6.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 3.3490 -5.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3509 4.6832 -6.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 6.0417 -4.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 5.7413 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 4.1874 -3.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 2.9765 -3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 2.9528 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1525 2.2901 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 5.0500 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 4.6508 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 4.4376 1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9078 2.7957 0.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 4.0077 1.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 2.4073 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 2.1902 3.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9848 1.6901 2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 2.9745 4.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0554 3.7215 3.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 5.2847 3.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 5.4921 4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5695 4.5786 4.6960 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 24 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 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 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 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END