HMDB0010478 RDKit 3D TG(18:2(9Z,12Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 169168 0 0 0 0 0 0 0 0999 V2000 6.9998 3.6318 -1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5815 4.6172 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2546 4.2975 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 5.0525 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 6.4164 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 6.5399 -1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3419 7.4503 -1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1598 8.4264 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 8.5566 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 7.8558 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4133 6.6991 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 5.5279 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 5.0632 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 5.6252 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 4.7521 -1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 4.5826 -2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 5.2436 -1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9033 4.3560 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1609 4.1234 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3702 4.7634 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9900 3.7165 2.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 2.4693 2.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1947 1.6308 1.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 1.9872 2.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 0.6419 1.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 0.3438 2.2932 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4403 1.2159 1.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 1.0663 0.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 1.3832 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.9558 -0.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 1.1086 -2.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 -0.0235 -2.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.1775 -4.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2434 -1.2033 -4.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0212 -2.6405 -4.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 -3.2276 -3.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 -4.7682 -3.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7483 -5.1772 -3.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 -5.8670 -3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -6.3543 -1.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0243 -7.8156 -1.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1414 -8.4403 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -7.7734 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 -8.2319 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 -7.6197 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3815 -6.1196 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 -5.7408 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 -1.0187 1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -1.8835 3.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.4301 4.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 -3.3186 2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -4.0507 4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -3.5688 4.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -3.7911 4.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 -3.3052 5.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -1.8771 5.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -0.8741 4.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -0.6687 3.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 0.5305 2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 0.3012 2.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2265 -0.8602 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 -0.8732 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 0.2261 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.1091 -2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 0.2638 -2.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 1.6216 -2.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 2.1808 -1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0687 2.6401 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 3.8857 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2804 3.5461 -2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 4.3515 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 5.6468 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 3.3161 0.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 4.7428 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1846 7.1104 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 6.6056 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 5.7995 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 7.4624 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2064 9.5085 -1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 8.5462 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 9.4352 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 8.1777 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 6.9785 -1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 6.2452 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 5.1525 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 4.2170 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 6.5696 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 6.0113 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 4.1864 -2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 3.8893 -2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5254 5.8285 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 6.0318 -0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5842 3.7683 -1.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9741 3.4447 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5539 5.3884 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0892 5.4585 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3725 4.2230 3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9495 3.4935 3.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -0.0315 2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 0.3541 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 0.4593 3.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 2.2892 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.1686 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 0.7070 -2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 1.9793 -2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8799 0.2623 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 -0.9072 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 0.8216 -4.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3893 -0.3331 -4.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3766 -0.9807 -4.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 -1.0117 -6.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -3.2511 -5.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 -2.9341 -5.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 -2.9774 -2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -2.9170 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4348 -5.1280 -2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -5.0934 -4.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 -4.8692 -4.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 -6.1036 -3.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -5.8144 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 -6.0603 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 -8.4602 -2.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -9.5384 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7758 -8.2615 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -6.7062 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2645 -8.0230 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -9.3301 -0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 -8.0153 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -7.8999 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5079 -5.6606 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -5.7774 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -4.7411 -1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 -5.8645 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -6.4855 -1.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3344 -3.7503 2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -3.4188 2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 -3.9966 4.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -5.1534 3.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -4.2616 5.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3766 -2.5554 5.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 -4.9319 4.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -3.4437 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -3.6683 4.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -3.9455 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -1.7932 6.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -1.5512 6.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 -1.1107 4.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8011 0.1123 4.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -1.5254 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -0.4125 3.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 1.4189 3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 0.7500 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5463 0.2569 3.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 1.2784 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -1.1114 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -1.7743 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 -1.8236 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6928 -0.7959 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1939 1.2339 -0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5516 0.0671 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 0.8501 -2.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 -0.9120 -2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 -0.0344 -3.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -0.4351 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 1.6621 -3.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 2.3851 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8513 1.3425 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 2.9038 -1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 2.7261 -1.2402 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 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 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END