HMDB0053684 RDKit 3D TG(20:3n6/16:0/20:4(8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 10.4479 2.1132 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1431 1.8044 0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1066 0.3677 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1461 -0.4222 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0027 0.0445 -0.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0423 -0.6781 -2.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 -1.4349 -2.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -1.6821 -1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -3.1212 -1.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 -3.8070 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 -3.4173 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 -2.0930 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9464 -1.3939 2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 -1.8813 2.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -0.9330 2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 -1.5362 2.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -2.7551 1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -2.4455 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -1.5225 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 -1.0401 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -0.3781 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 -1.2012 -2.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -0.6010 -3.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 -0.8886 -4.6685 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1291 -2.2738 -5.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -3.1395 -4.0124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -4.4960 -4.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 -5.0095 -5.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 -5.3163 -3.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -5.1980 -2.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0832 -5.9302 -1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 -5.4185 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8812 -5.9337 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -5.4533 1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 -5.7538 2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2531 -4.7835 3.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 -3.3607 2.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1247 -2.7334 3.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -1.6718 4.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 -0.8830 4.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0528 -0.8008 5.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2002 0.3391 6.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 1.6324 5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 2.2766 6.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 1.3449 6.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3879 1.9366 7.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 3.2667 6.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9601 -0.4765 -3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6241 0.7446 -3.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 1.5529 -4.7041 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 1.0905 -2.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 2.5207 -2.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 2.7407 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 4.1317 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1494 4.3913 -0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 4.3394 -1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 4.4998 -0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6732 4.4953 -1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 5.7140 -2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 5.7135 -3.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 4.6687 -4.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 4.6112 -5.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 4.4654 -5.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 4.4024 -6.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 4.2953 -6.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5614 1.3557 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3082 1.9950 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3387 3.1416 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 2.2995 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 2.2519 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9164 -0.0779 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2613 -1.4939 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 0.1407 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 1.1289 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9591 -0.5314 -2.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2007 -1.9341 -3.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 -1.3580 -2.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -1.0972 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -3.6822 -2.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 -4.9544 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -3.9396 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -4.0524 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -1.5990 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 -0.3836 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -1.8219 3.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 -2.8499 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 0.0158 2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -0.6649 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 -0.7946 2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -1.8743 3.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 -3.6193 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 -3.0953 1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 -3.3754 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -1.9076 -0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -1.9956 0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2536 -0.6029 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 -1.1253 -4.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4059 0.4729 -3.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1961 -0.1748 -5.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8628 -2.4218 -5.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -2.5928 -5.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5467 -4.9948 -2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 -6.3868 -3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0547 -5.6960 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 -4.1513 -2.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8712 -6.9974 -1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 -5.7793 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 -5.6319 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -4.2830 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 -5.4344 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8167 -7.0234 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -4.4747 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9031 -6.1569 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9782 -6.7734 2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6547 -4.9682 4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9424 -3.2170 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 -2.8875 2.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -3.2316 3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 -1.2797 5.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3253 0.1553 4.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 -1.3118 3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3252 -1.7280 6.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5865 0.3120 7.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6821 1.7171 4.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7873 2.3132 6.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5523 3.2616 6.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1242 2.3544 7.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 0.3520 6.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 1.1911 5.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 2.1297 8.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 1.2758 7.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2202 3.1395 5.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 3.9948 7.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 3.5557 6.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 0.9001 -3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 0.4337 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 2.6921 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 3.2276 -3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0665 1.9966 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 2.5799 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 4.2830 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 4.8827 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 5.4005 0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3287 3.6383 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 5.1192 -2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 3.3343 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6916 5.4478 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7899 3.6619 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 3.5980 -2.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6919 4.3840 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9589 6.5603 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 5.9741 -3.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 6.7297 -4.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 5.7319 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 4.7779 -5.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 3.6252 -4.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 5.5018 -6.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 3.7168 -6.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 3.5724 -4.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 5.4010 -4.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 5.3469 -7.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 3.5055 -7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 3.6540 -6.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7851 5.3309 -6.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 4.0694 -5.1019 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 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 24 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 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 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 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 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 65165 1 0 M END