HMDB0007528 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0) 136135 0 0 0 0 0 0 0 0999 V2000 -7.2351 5.3750 2.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 6.1817 3.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9971 6.2138 4.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8974 4.9516 5.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 4.0600 5.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5462 3.5759 3.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4715 3.7868 3.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 4.5403 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 5.6918 2.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 5.7682 2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 4.7416 2.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 5.3704 2.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 5.3870 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 4.7788 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 5.8988 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6201 5.8434 -1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 4.6644 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 4.1863 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 2.9875 -3.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 2.6292 -4.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 3.0702 -5.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 1.7998 -5.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 1.3808 -6.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 0.4627 -5.6985 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7302 0.0796 -6.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.6896 -6.5894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8121 1.2085 -4.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 0.7909 -3.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -0.2918 -3.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0963 1.4741 -2.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 0.8997 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 0.7380 -0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.2569 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -1.0427 1.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5666 -1.2973 2.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -2.4788 3.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -2.3790 3.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -3.5209 4.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 -4.8941 3.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 -5.1857 2.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 -6.6300 2.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1051 -7.0393 1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -6.3178 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -6.6881 -0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -6.1673 -1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -6.6178 -2.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -6.1582 -3.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 -4.7521 -4.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 -3.6913 -4.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7565 -3.5353 -4.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -4.4974 -4.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -5.8031 -5.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7615 5.9180 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8023 4.4527 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9430 5.0913 3.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1494 5.8701 2.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3251 7.2576 2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9106 6.7613 5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1565 6.9395 5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8762 4.3810 5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0234 5.2273 6.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 4.3886 5.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0223 3.0947 5.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3549 2.9918 3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4063 3.3801 2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 5.0671 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 3.9411 4.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 6.4729 2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 6.6689 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 4.1150 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 3.9821 2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 5.8068 3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 5.8450 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 4.0122 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 4.2724 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 6.8271 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 6.7390 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 3.8982 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 5.0813 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 4.0135 -3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 5.0815 -3.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0023 3.2709 -3.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8774 2.1745 -2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 0.7252 -6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 2.1760 -6.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -0.4092 -5.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 1.0027 -7.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3587 -0.4995 -7.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -0.3809 -5.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 1.6156 -2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 2.5451 -2.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -0.0563 -0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 1.6150 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2137 0.1812 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 1.7807 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 0.1254 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 1.0290 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5238 -1.8424 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 -0.9603 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6891 -1.4542 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.3515 3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -2.5150 4.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -3.4227 2.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 -1.4423 4.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -2.2358 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 -3.5039 5.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -3.3218 4.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 -5.5852 4.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -5.1833 3.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2377 -4.5754 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 -5.0095 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -6.9176 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 -7.2508 3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -6.8915 2.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 -8.1174 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -6.7147 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4361 -5.2549 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5503 -6.2052 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 -7.7721 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 -6.5899 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 -5.0846 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -6.4642 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 -7.7626 -2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7429 -6.7343 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -6.6083 -4.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8835 -4.6898 -5.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 -4.4317 -3.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3273 -3.3271 -3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -2.7257 -4.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -3.2959 -5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -2.5496 -4.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 -4.7002 -3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 -4.0181 -5.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 -5.7312 -6.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 -5.9642 -6.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -6.6644 -4.7817 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 2 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 24 27 1 0 27 28 1 0 28 29 2 0 28 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 52136 1 0 M END