HMDB0053268 RDKit 3D TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z)) 167166 0 0 0 0 0 0 0 0999 V2000 6.6504 -3.1965 -3.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 -4.2352 -2.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2005 -3.9551 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0141 -4.9503 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -4.9308 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 -5.8735 1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7942 -5.4713 2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 -4.1336 2.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 -3.5380 2.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -3.9843 3.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -5.3750 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 -5.3809 1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 -5.8611 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -6.4530 2.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 -5.8165 3.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 -4.7001 3.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 -3.7336 2.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 -3.5427 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 -2.9666 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6049 -2.8202 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -2.2419 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4323 -2.2372 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1173 -3.1810 -1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0713 -1.2011 -1.9262 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4323 -1.3051 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0168 -0.2325 -4.1904 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9676 -0.9898 -5.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1417 -2.0752 -5.4379 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7342 -2.9962 -6.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1149 -2.8903 -7.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 -4.1624 -6.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 -4.2941 -4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9945 -3.1402 -3.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -2.9533 -4.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 -1.6476 -3.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3693 -1.6076 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9598 -0.2721 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 -0.2266 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 1.1667 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 1.2114 1.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.4251 2.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 1.6796 3.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4056 3.0382 3.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 3.3160 4.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6883 2.3062 5.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 2.6735 5.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 2.6819 4.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3773 3.0693 4.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 2.1327 5.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6723 0.1618 -4.0355 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 1.4963 -4.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2697 2.2596 -4.6409 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 2.0304 -4.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7538 3.3444 -4.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 3.8031 -4.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 4.1404 -3.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 4.4834 -3.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 5.5953 -4.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4651 5.8996 -4.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 6.3397 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 6.6378 -2.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1407 5.4410 -2.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 5.5675 -2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 5.9722 -1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9484 7.3117 -0.9821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -2.2689 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7239 -2.9329 -3.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -3.6328 -4.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3223 -4.2849 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -5.2094 -3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8437 -2.9483 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2482 -3.8161 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 -4.7368 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2014 -5.9596 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 -3.9466 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 -5.4000 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 -6.9544 0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -6.3068 2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 -3.4444 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 -3.8747 3.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 -2.4201 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -3.3245 3.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5348 -6.0851 2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2182 -5.7457 3.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1063 -4.9501 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -5.8093 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -7.5197 2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -6.7427 3.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 -6.4070 4.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -4.4576 3.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 -2.6926 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 -3.8357 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -2.9222 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -4.5474 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 -1.9976 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2824 -3.6541 2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7119 -3.8596 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9745 -2.2909 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7326 -2.8458 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 -1.2409 0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5586 -1.4768 -3.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0198 -2.2872 -3.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6826 0.5402 -4.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0304 -1.2103 -5.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6265 -0.1961 -6.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8881 -4.1042 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 -5.0498 -6.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6386 -4.4534 -4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 -5.1881 -4.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5406 -2.2055 -3.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 -3.4411 -2.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -3.7770 -3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -2.9401 -5.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -1.6041 -3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 -0.8571 -4.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -2.4629 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -1.6347 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 0.5421 -2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -0.0908 -1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -0.9681 0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -0.3194 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 1.3316 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 1.9582 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 1.0334 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 1.4248 3.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1.7315 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 0.8712 3.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 3.8322 2.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1151 4.3889 5.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 1.2797 5.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 2.3022 6.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 3.7150 6.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 1.9585 6.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 3.4962 4.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 1.7355 4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9236 3.1365 4.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 4.0758 5.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 2.1222 5.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 2.5011 6.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 1.1104 5.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1613 1.3835 -4.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 2.2892 -3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4641 4.1122 -4.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9406 3.1648 -5.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 3.0706 -5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 4.7305 -5.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 3.3257 -2.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 5.0326 -2.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 4.8882 -2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 3.5964 -3.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 6.5175 -4.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 5.2442 -5.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 6.7076 -4.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 5.0130 -4.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 5.6108 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 7.3003 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 7.1176 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 7.4642 -3.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 4.5621 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 5.1186 -3.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 4.5906 -3.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 6.3304 -3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3784 5.9352 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1206 5.2370 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 8.0776 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 7.7311 -0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 7.2832 -0.0698 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 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 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 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 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 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 49140 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 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 65167 1 0 M END