HMDB0054102 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 167166 0 0 0 0 0 0 0 0999 V2000 8.2382 -0.7699 10.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 -0.6376 9.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 -2.0108 9.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 -1.9458 9.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1406 -1.1782 8.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 -1.1745 8.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -1.6897 7.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 -2.3892 6.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -3.7545 6.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -4.2610 5.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -3.4908 4.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8582 -3.3918 4.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -3.8537 3.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -4.5133 2.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 -5.8765 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 -6.3625 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -5.5282 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6978 -6.2815 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 -5.7551 -2.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -4.5445 -2.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 -3.2363 -2.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 -2.2127 -2.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.0177 -2.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -2.6068 -3.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0436 -1.8299 -3.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 -0.7914 -2.6813 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6789 0.0050 -3.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 0.5877 -4.5019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 1.3585 -5.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 1.5761 -5.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2185 1.8993 -6.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 2.2684 -6.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 2.8054 -7.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 3.1774 -6.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3505 2.6501 -7.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 1.6319 -8.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 0.3689 -7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -0.2327 -8.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 0.2894 -9.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2858 0.5526 -9.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1194 0.3596 -8.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9199 -0.2104 -7.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 0.6071 -5.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8192 1.0647 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 0.8989 -4.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 2.1033 -4.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 2.9800 -3.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 3.6360 -3.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6134 4.5000 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -1.3439 -1.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 -0.9268 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4707 0.0028 -0.4194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5982 -1.3320 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9334 -0.3039 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 1.0013 1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0145 2.1055 2.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 3.4160 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 4.0888 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 4.5572 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 3.5456 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 3.5325 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 4.5867 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 4.1628 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 3.5992 1.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 4.5642 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8564 3.9092 4.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 4.9133 5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5721 -1.7647 9.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7676 0.0022 9.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -0.7349 11.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 -0.1464 10.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -0.0494 9.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -2.5038 8.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3945 -2.6803 10.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1504 -1.5786 10.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 -3.0024 9.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 -0.1114 8.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -1.6333 7.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -0.6598 9.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 -1.6333 7.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -2.5361 6.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 -1.7605 5.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -4.3599 7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -5.2792 5.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 -3.9771 3.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 -2.4402 4.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 -2.8983 5.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 -3.7640 3.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -3.8755 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1099 -4.7516 2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 -6.4774 3.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -7.3693 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 -5.6976 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 -4.5124 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 -7.3061 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6607 -6.6020 -0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2127 -6.6225 -3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 -5.6543 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 -4.7057 -2.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -4.4286 -3.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1977 -2.9579 -2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 -3.2013 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6241 -1.3211 -4.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 -2.4898 -4.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 -0.0677 -2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9755 0.7542 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 -0.7318 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 2.7465 -6.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 1.0972 -7.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 1.4445 -5.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 3.0945 -5.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1439 2.0980 -8.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 3.7635 -7.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 3.9479 -6.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 3.0024 -7.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 2.0576 -9.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 1.4127 -8.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 -0.1742 -7.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -1.2190 -7.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3704 1.2220 -9.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 -0.4073 -10.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 1.0316 -10.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2268 0.6767 -8.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4840 -1.2060 -6.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8622 -0.3828 -6.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5378 0.8548 -6.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4339 1.6555 -4.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 0.3004 -3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8986 0.2217 -5.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 1.7902 -4.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 2.7026 -5.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6524 2.4293 -2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 3.8147 -3.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 3.0361 -2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9831 4.4213 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 5.3627 -4.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6125 4.9347 -3.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7805 3.9502 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6675 -1.3165 1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -2.3561 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 -0.6545 3.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -0.1930 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 1.1579 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 0.7981 2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 2.1451 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 1.7662 3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 4.1109 3.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 3.2925 3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 3.5494 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 5.0396 1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 4.9824 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6386 5.4807 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0177 2.6543 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 2.6471 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 5.0588 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 5.4634 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 4.9390 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 3.3152 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 2.6537 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 3.3490 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 5.4496 3.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0605 4.8767 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 3.6731 4.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2123 3.0177 4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1388 4.4173 6.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 5.7131 5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 5.4515 4.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 2 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 3 74 1 0 4 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 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 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 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 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 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END