HMDB0045993 RDKit 3D TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 173172 0 0 0 0 0 0 0 0999 V2000 5.4742 2.4271 -11.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 1.0378 -11.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 1.1527 -10.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 0.5948 -9.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 -0.2787 -8.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -1.6448 -8.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.1963 -7.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8753 -1.4031 -6.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 -1.2971 -5.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4855 -1.6593 -4.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6054 -2.2015 -3.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 -1.1941 -2.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 -1.4662 -1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2413 -2.8589 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -3.2143 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -3.5048 1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -3.5117 2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 -2.3504 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -1.0918 2.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 0.2100 3.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9884 0.9459 3.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 0.8210 3.4889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8866 2.1947 3.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 2.7109 4.4388 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3087 4.1625 4.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 4.9142 3.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 5.3702 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 5.0994 3.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 6.1529 1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 5.2247 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 4.2132 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4431 3.1890 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 2.3223 -1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 1.6945 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 0.7795 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 1.3481 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 0.4841 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 -0.8765 -0.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 -1.2954 -1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -1.0256 -2.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -1.6296 -4.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -1.0738 -4.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 0.3726 -5.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 1.1055 -5.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 0.7399 -7.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0706 -0.5529 -7.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -0.7317 -8.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 2.1211 5.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 1.2215 6.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4141 0.8054 5.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 0.8147 7.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.3292 7.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 -1.5753 6.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 -2.5651 6.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8113 -3.6941 7.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -4.3144 8.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6465 -5.5934 7.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 -5.9926 7.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -5.4027 6.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4088 -4.1398 7.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -3.0843 6.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -3.0544 5.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4182 -1.9723 4.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -0.9955 4.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4762 -0.8567 4.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9124 0.4676 4.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2718 1.6340 4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5941 1.7936 2.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0773 1.9923 2.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0189 2.4588 -12.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 2.5852 -10.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7164 3.2230 -11.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 0.8110 -12.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2671 -11.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 1.7847 -11.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 0.7083 -9.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -0.3534 -9.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 0.2239 -8.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 -2.2442 -9.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -3.2015 -7.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 -2.1767 -5.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4162 -0.4988 -6.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 -0.9054 -6.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5225 -1.5647 -3.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -3.2209 -3.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 -2.0867 -4.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 -0.1604 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 -0.7039 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1435 -3.5972 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -2.8748 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3727 -3.2218 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 -3.7421 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -3.5142 1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 -4.4190 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 -2.5198 3.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.4135 3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3021 -1.1654 1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 -1.1740 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 2.7117 3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 2.1314 4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2335 2.2895 3.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 4.6554 5.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7799 4.2655 4.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 6.8149 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 6.7468 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 4.9218 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 5.9497 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 3.6898 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 4.7854 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7359 3.6348 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 2.4510 -0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4187 2.8048 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 1.4751 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 1.0846 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 2.4457 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 0.5632 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 -0.1959 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8275 2.3017 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4647 1.6881 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 0.5146 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6796 1.0500 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 -1.5916 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 -1.2737 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 -2.4461 -1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 -0.9740 -2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2942 0.0212 -2.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -1.5916 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 -1.3655 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -2.7268 -4.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 -1.3876 -4.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -1.6153 -5.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 0.5387 -5.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 0.8902 -4.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 1.0702 -5.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 2.2097 -5.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0719 1.5521 -7.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 0.8273 -7.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5291 -1.4208 -6.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0402 -0.5318 -6.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1719 -1.6597 -8.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 -0.9217 -9.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1982 0.0712 -9.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6501 0.5336 7.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 1.6605 8.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.5951 8.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3444 -0.0493 7.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -1.2355 5.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0846 -1.8532 7.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9632 -2.2864 6.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -4.3512 7.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 -4.5288 9.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 -3.6076 8.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -6.2861 7.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 -7.0365 6.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3782 -5.4823 5.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 -6.2328 7.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 -4.0088 8.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -2.1474 7.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 -4.0092 4.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2877 -2.9318 5.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -2.0260 4.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 -0.2117 3.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7565 -0.6931 3.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 -1.6149 4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 0.4098 5.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0261 0.5151 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6328 2.5484 4.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 1.5887 4.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 0.9653 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0992 2.7160 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4647 2.6176 3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2296 2.4438 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6035 0.9985 2.3705 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 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 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 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 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 2 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 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 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 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 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 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