HMDB0053682 RDKit 3D TG(20:3n6/16:0/18:3(9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -6.2433 9.3360 7.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 10.0093 6.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9953 9.2872 5.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9409 8.6473 4.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 8.5713 5.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 9.1042 4.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 8.3424 4.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 6.9173 4.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 6.6119 5.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 5.7134 5.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 4.8304 4.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 5.0002 4.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 4.0480 2.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7117 4.1183 2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 3.1562 1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 1.7679 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 0.6505 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 -0.5614 1.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -0.3207 2.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6511 -1.8871 1.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -2.8462 1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -2.9592 1.0958 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4461 -3.8833 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 -5.1343 0.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -5.9745 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9868 -5.4800 0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -7.4153 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 -8.3610 -0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5862 -7.9892 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5137 -9.0617 -2.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6001 -8.6795 -3.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 -7.6767 -4.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5988 -6.3788 -4.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -5.2599 -4.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 -5.2017 -5.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1286 -4.6032 -6.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -3.4925 -7.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.6305 -6.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -1.3480 -6.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -0.1995 -6.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -0.0804 -7.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 0.8391 -6.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 2.2897 -6.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 2.8301 -6.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 4.3954 -6.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -1.7020 0.8302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 -1.1290 1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 -1.8313 2.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4523 0.2466 0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 0.8471 1.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 0.8885 3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 1.5953 3.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6933 1.2706 4.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0091 4.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 -1.2770 4.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -1.2986 2.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5511 -2.6356 2.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -2.7743 0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7433 -1.7697 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -1.8859 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4124 -3.2514 -2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 -3.7754 -2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 -5.1785 -2.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 8.2285 7.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2205 9.7119 8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2257 9.5860 6.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2522 10.1595 7.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 11.0354 6.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 9.2775 4.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9999 8.1419 3.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 9.3091 6.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 7.6157 6.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 10.1551 4.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 8.7388 4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 6.4906 5.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2806 6.3669 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 7.2124 6.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 5.6077 6.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 3.7600 5.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9157 4.9443 3.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 4.7207 4.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 6.0250 3.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9277 3.0300 3.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6558 4.4325 2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 3.8764 3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 5.1478 2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 3.2192 1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5946 3.4508 0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 1.7626 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 1.5127 2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 0.8672 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 0.5353 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5687 -2.3993 2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -3.7178 1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 -3.4963 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 -3.4567 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -3.8368 -0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 -7.5708 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -7.7167 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3455 -9.3633 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 -8.4206 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -8.0454 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 -6.9784 -1.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -9.3342 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -10.0223 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5723 -8.4556 -3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 -9.6246 -4.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -7.6783 -5.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 -8.2074 -5.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5714 -6.3039 -3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -4.2830 -4.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -4.5949 -4.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 -6.2004 -5.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8384 -5.1554 -7.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9527 -3.0795 -8.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2019 -2.5696 -6.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -2.9714 -5.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -1.3944 -5.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 0.6446 -6.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 -1.0118 -7.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 0.4503 -8.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 0.5558 -5.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 0.6944 -7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 2.8468 -6.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 2.5894 -7.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 2.6623 -6.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 2.5571 -5.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 4.6755 -7.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 4.8031 -5.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6635 4.7480 -5.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 0.8933 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0802 0.2014 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 1.9327 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6316 0.4044 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0891 -0.1252 3.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 1.4143 3.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2435 2.7073 3.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 1.7685 5.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 2.0781 4.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2131 1.4834 3.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 0.0217 5.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 -0.1607 5.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 -2.0862 4.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 -1.5885 3.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 -0.4354 2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 -1.2906 3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -2.8185 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 -3.4040 2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 -3.8097 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3666 -2.5697 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 -1.8882 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.7433 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4981 -1.5275 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 -1.1823 -2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 -3.1944 -3.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9676 -4.0084 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 -3.8554 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -3.1613 -3.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 -5.1227 -4.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 -5.6536 -2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -5.7545 -2.8817 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 1 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END