HMDB0048412 RDKit 3D TG(14:1(9Z)/O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -1.5943 -4.7224 -11.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -6.1216 -10.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3577 -7.0677 -10.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 -7.6710 -9.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -7.4486 -8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 -8.7221 -7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 -9.2876 -6.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -8.7597 -5.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8801 -8.5385 -4.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -7.3745 -3.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -6.1673 -4.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 -5.6581 -3.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 -4.4815 -3.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 -3.4709 -3.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2072 -2.3878 -4.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -1.1726 -3.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8191 -0.7358 -2.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -0.2668 -1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1713 0.9619 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3649 2.1246 -1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9823 2.2584 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0023 1.6453 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4626 1.1884 0.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 1.6104 -1.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 1.1139 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 2.0785 0.8451 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2191 3.5172 0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 4.1982 0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3873 3.9585 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3048 2.9428 -1.4988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 4.8842 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 4.6306 -1.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 4.5471 -3.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 3.4753 -3.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3965 2.0802 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 1.1203 -4.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 -0.3223 -4.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4026 -0.4633 -4.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7253 -1.2098 -5.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -2.0275 -6.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 -3.4842 -6.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.0670 -5.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 -5.5272 -5.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2038 2.0095 1.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 1.7435 3.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 2.5031 4.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 3.9877 4.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3374 4.5261 5.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 5.9907 5.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 6.7494 5.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 6.6383 6.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 6.8800 8.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5495 6.0204 8.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 4.6015 8.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 3.8652 9.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3553 2.4338 9.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 1.6894 10.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8863 2.2810 12.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 1.4714 12.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 2.0900 14.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 3.5028 14.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 3.6040 13.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 -4.0147 -10.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8305 -4.3549 -11.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -4.7002 -11.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -6.5177 -11.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -6.0716 -9.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 -7.3183 -11.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 -8.3826 -9.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6723 -6.6249 -8.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -7.1556 -7.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -9.2568 -8.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 -10.2663 -6.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 -7.9846 -6.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 -9.6373 -5.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -9.3883 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4804 -7.2426 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 -6.3166 -5.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 -5.5051 -4.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3457 -6.3748 -3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 -4.2307 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -3.9285 -3.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -3.1901 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 -2.6523 -5.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.3897 -4.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0183 -0.0507 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 -1.6085 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8270 -1.0262 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 1.1157 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 2.9522 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 2.6121 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7465 3.4083 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 2.0815 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 0.7915 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 0.1304 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.8624 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 3.4769 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 4.0793 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 4.9915 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 5.9556 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 3.6544 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4942 5.3732 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 5.5496 -3.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6434 4.4859 -3.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 3.6516 -5.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 3.4797 -3.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 1.8102 -2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4666 2.0481 -4.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 1.1545 -4.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 1.3652 -5.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3422 -0.9525 -4.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 -0.6026 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 0.0993 -4.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 -1.2323 -6.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 -1.7207 -7.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -1.9121 -6.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3307 -3.5164 -7.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 -4.1301 -7.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -3.5144 -4.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2325 -4.0267 -4.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 -5.5902 -6.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0006 -5.9245 -4.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 -6.1317 -5.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9341 0.6434 3.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 1.8185 3.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 2.2648 3.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 2.0712 5.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 4.5510 3.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 4.1671 4.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 3.9237 6.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 4.1847 4.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 6.2773 6.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8242 6.3823 4.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 6.6576 4.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 7.8662 5.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 7.3903 6.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4429 5.6718 6.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 7.9511 8.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 6.9301 8.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 6.4387 9.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 5.9821 8.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1726 4.0162 8.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 4.6645 9.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 4.4199 10.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 3.8230 9.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 2.3748 10.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4796 1.9586 8.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 1.7392 10.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 0.6113 10.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 3.3399 12.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0642 2.2078 12.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 1.2895 12.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 0.4685 13.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 2.1159 14.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 1.4790 14.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 3.7965 15.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 4.2353 13.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9702 3.1676 12.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 4.6494 13.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 3.0479 14.2353 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 42 43 1 0 26 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 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 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 1 27 97 1 0 27 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 43123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END