HMDB0053426 RDKit 3D TG(20:2n6/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 1.4523 -3.5497 4.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 -2.5436 3.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -2.5840 3.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 -1.5564 4.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6854 -0.2105 4.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 0.7429 3.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 1.7667 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 2.2774 5.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 1.6460 6.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9141 2.1940 7.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 3.5461 7.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 3.5974 7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 2.9214 5.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 3.6066 4.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 5.0332 4.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 5.1303 4.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 6.5970 4.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 6.7891 4.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 7.9322 4.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 5.7720 3.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0963 5.8992 3.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 4.5169 2.7876 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6942 4.5449 1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7587 3.3889 1.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 3.1505 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5826 3.9996 -0.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 1.8767 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5212 1.0191 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 -0.2984 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -1.0336 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 -2.3431 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -2.4401 -2.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -3.8939 -2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 -4.4526 -1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -5.9494 -1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 -6.4245 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 -6.9847 -1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 -7.2345 -2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 -6.6081 -2.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 -5.6988 -3.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 -5.1201 -4.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 -3.6035 -4.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -3.0061 -4.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1928 -1.5050 -4.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7732 -1.0834 -2.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5485 3.5193 3.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 2.7224 4.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 2.9574 3.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 1.6645 5.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 1.0434 5.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 0.4241 4.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9296 -0.5755 3.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8908 -0.5383 2.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 0.5848 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 -0.0637 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 0.1568 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 1.0389 -1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 2.0396 -1.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 2.2149 -3.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 1.4797 -4.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 0.7458 -5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 0.0281 -6.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -0.6811 -7.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 0.2221 -7.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 -0.5964 -8.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 0.3244 -9.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 1.3694 -10.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 -3.3988 3.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 -4.5682 3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -3.3450 5.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -1.6074 3.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2607 -2.9754 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -3.5526 3.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 -1.7262 4.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 -0.2734 3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 0.0045 5.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 0.5106 2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 2.3414 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 3.4183 5.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 2.2798 5.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 0.6144 6.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 1.5987 8.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 4.2117 6.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 4.0651 8.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 3.1069 7.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 4.6708 7.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 2.9182 5.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 1.8410 5.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9147 3.4895 4.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 3.1051 3.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 5.4775 3.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 5.6228 5.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 4.6061 5.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 4.7099 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 7.0744 5.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0581 7.0381 3.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 6.6407 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 6.1978 4.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 4.2882 2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 5.4861 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6557 4.4995 2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5648 2.0647 -1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5904 1.3416 -0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 0.7316 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 1.6204 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 -0.8648 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1659 -0.0697 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3764 -0.2952 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -1.1558 0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 -3.1555 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -2.6671 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0825 -2.0995 -2.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 -1.8675 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -3.8815 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8562 -4.4889 -2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -3.8977 -1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0633 -4.3716 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -6.4343 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 -5.9617 -2.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0308 -6.2679 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 -7.3218 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -7.0357 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1797 -8.3509 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 -6.9496 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 -5.3591 -3.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -5.2356 -5.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -5.5383 -4.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3768 -3.3625 -3.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -3.1169 -4.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 -3.4024 -3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6205 -3.2741 -5.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6415 -0.9872 -5.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2548 -1.1997 -4.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 -0.1204 -2.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -0.8113 -2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -1.7987 -2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0984 2.0181 5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 0.8167 4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 0.1909 6.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 1.7110 6.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 1.2196 4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 -0.1634 5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -1.4214 4.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 -1.3010 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6006 1.2366 2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 1.0841 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5534 -0.7195 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -0.3527 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 0.3785 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 1.5047 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4345 2.6230 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 2.9978 -3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 2.2053 -4.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 0.7108 -3.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 -0.0874 -4.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 1.4007 -5.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 0.7387 -6.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -0.7591 -5.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -1.5384 -6.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5908 -1.0795 -7.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 1.0288 -8.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 0.6742 -7.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 -1.2559 -8.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.1415 -9.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 0.8584 -8.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 -0.2689 -10.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 2.3930 -9.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 1.2685 -11.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 1.2086 -10.3550 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 1 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 2 0 53 54 1 0 54 55 1 0 55 56 2 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 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