HMDB0049301 RDKit 3D TG(18:1(11Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -0.0958 3.6886 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 2.3520 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9931 2.1689 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 1.1569 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 0.0735 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 0.0197 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -1.0132 -2.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -2.2954 -1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 -2.5568 -2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8228 -3.6168 -2.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -4.7051 -3.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -6.0233 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 -6.8531 -1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -6.6407 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 -7.6710 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 -7.3656 -1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 -5.9657 -1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -5.8800 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 -5.3757 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -4.8052 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -3.2744 -1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 -2.9169 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -2.6534 -1.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -2.9012 0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1203 -2.6199 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -2.5335 2.1768 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4437 -3.8351 2.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -4.1468 2.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 -3.4038 3.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -2.3426 3.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -3.8266 2.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 -3.1852 1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 -1.6741 1.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -1.0724 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3731 0.4803 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 0.9116 1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6134 2.3156 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7376 3.3902 2.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6436 3.9736 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 3.2060 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1343 2.9912 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 3.5235 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 4.4499 -2.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4941 5.0644 -3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7113 5.8869 -2.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4200 7.0330 -2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 7.7794 -1.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 -2.3938 2.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.4204 3.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 -0.4606 3.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.5992 3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -0.4894 4.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5875 -0.8285 4.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 0.0813 5.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5795 1.4958 4.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2233 1.6839 3.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4753 3.1510 3.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2713 3.9663 3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9108 4.6781 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5617 4.8249 0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5594 4.3950 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1168 4.5430 -1.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3283 3.7198 -2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0578 2.2332 -1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3401 1.5125 -2.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2415 0.0182 -2.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5715 -0.5813 -2.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 4.5188 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 3.8519 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 3.6417 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 2.6000 2.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 1.5881 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 2.9469 1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 1.1040 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 0.2701 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 -0.8386 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 0.9301 -1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 -1.0003 -3.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 -3.0522 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -2.2178 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 -1.7430 -1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8510 -3.6644 -3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 -4.8125 -4.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 -4.5893 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3584 -6.3077 -3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 -7.8053 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -5.6063 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2593 -6.8933 0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -8.7394 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 -8.1199 -1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -5.8111 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1262 -5.1769 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -6.2615 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8811 -5.3468 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7624 -4.8659 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 -5.2031 -2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 -2.7945 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 -3.1501 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4711 -3.5079 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7399 -1.7081 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -1.7023 2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8098 -4.6359 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -3.7717 3.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 -3.4586 3.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -4.9205 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 -3.5358 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8919 -3.5199 1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 -1.3270 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 -1.4382 2.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6662 -1.2781 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -1.3952 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.7538 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 0.8375 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 0.4744 2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 0.2712 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4485 2.3321 2.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2353 2.6832 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 3.1357 3.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 4.3000 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0347 4.6629 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2236 4.8111 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 2.7574 1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 2.3832 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8353 3.9326 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 2.6609 -2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 5.1838 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 3.7893 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 5.7887 -3.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6519 4.3430 -4.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 5.2999 -2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 6.3681 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9683 6.7004 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7052 7.7425 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5609 7.0893 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 8.1575 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 8.6375 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -1.5994 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -2.5920 3.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6252 -0.3970 5.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9669 0.4436 3.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 -1.8565 4.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0494 -1.0081 3.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 0.0459 6.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4513 -0.3665 5.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6409 2.0782 4.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 1.9688 5.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 1.2492 2.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1704 1.1326 3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1584 3.5527 3.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0736 3.1743 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 3.9571 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9752 5.2618 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8011 5.8858 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4554 4.2323 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6194 4.9809 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 3.3099 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3263 4.3120 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 5.6168 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5668 3.8793 -3.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 3.9794 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6773 1.9556 -0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2842 1.8867 -2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1094 1.9021 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6081 1.8151 -3.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9394 -0.3246 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5020 -0.3257 -2.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3489 0.2044 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8667 -1.3890 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5595 -1.0412 -3.4733 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 1 0 39 40 1 0 40 41 2 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 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 2 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 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 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