HMDB0053292 RDKit 3D TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z)) 167166 0 0 0 0 0 0 0 0999 V2000 1.1393 3.7106 -2.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0092 3.9622 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 2.6923 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9062 2.8724 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 3.9131 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0027 4.0578 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2598 3.8385 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7746 3.3925 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 2.0933 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 1.0085 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8746 0.9724 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 0.5965 -3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -0.4350 -4.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -1.3631 -3.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 -2.7375 -3.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -3.7226 -4.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 -3.6241 -5.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -4.6637 -4.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -4.7038 -3.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -3.4610 -2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 -2.7066 -1.9493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 -3.0724 -2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.9810 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 -2.0036 -0.8502 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6730 -2.2865 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.2871 1.4746 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0747 -2.5291 2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 -2.7068 1.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -2.5767 3.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -2.6841 4.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -1.4124 4.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 -1.4491 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8819 -0.3202 5.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5822 1.0666 5.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 1.8236 4.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4126 3.2374 5.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1914 3.5214 6.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 2.6390 7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 2.0650 8.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 2.1150 9.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 0.8917 9.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2913 0.7650 10.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2986 1.8240 10.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4572 1.4974 9.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0372 1.2473 7.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2286 0.9320 6.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1931 2.1247 6.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -0.7216 -0.6244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.5546 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4562 -1.5638 -0.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 0.7606 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 0.8076 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1672 0.5457 -1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 1.5632 -2.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8739 1.3836 -4.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5133 0.0569 -4.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8949 0.1091 -6.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 -1.1299 -7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 -2.3442 -6.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0513 -3.4728 -7.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -4.7888 -7.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6044 -5.5556 -6.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 -5.0259 -4.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6674 -4.7277 -4.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3828 -6.0165 -5.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 3.1311 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 3.1520 -2.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 4.6885 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 4.3688 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 4.7508 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 1.9626 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 2.2274 -1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 1.9109 0.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 3.2523 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 4.9042 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 3.7568 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 4.3905 1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9973 3.9826 1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 4.1685 -1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 3.4766 -1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3638 2.0532 -0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6598 0.1036 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3158 1.9263 -2.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 0.1915 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9578 1.1971 -4.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0225 -0.6621 -5.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 -1.3373 -4.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -1.1079 -2.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2862 -2.9434 -3.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2222 -4.7175 -4.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -3.9308 -6.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -2.6657 -5.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 -4.3987 -5.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 -5.6781 -5.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0482 -5.0072 -2.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3521 -5.4879 -3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -1.6774 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -1.0526 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.7936 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1397 -1.5492 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 -3.3016 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9661 -3.4782 4.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8859 -1.7005 4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 -3.5301 4.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -2.8384 5.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -1.4148 3.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 -0.6123 4.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -2.3761 4.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -1.7482 6.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -0.3344 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -0.5721 5.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5489 1.6516 5.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 1.2072 6.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6931 1.8669 3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4883 1.3965 5.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 3.7785 4.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 3.8411 5.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 3.4780 7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 4.5644 6.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2473 2.4754 6.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3541 1.4022 8.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 2.9324 9.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 2.4363 10.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 -0.0646 10.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.2810 10.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 2.0203 11.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8973 2.8105 9.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1996 2.3462 9.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9879 0.5698 9.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3215 0.4009 7.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5424 2.1309 7.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 0.7681 5.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7433 0.0632 7.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7647 2.1701 5.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8578 2.0939 7.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5978 3.0527 7.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 1.0455 0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7929 1.5248 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 1.8028 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0654 0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 -0.4567 -2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2553 0.5587 -2.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 2.5745 -2.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 1.6254 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 1.5962 -4.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 2.1958 -4.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -0.7560 -4.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -0.0674 -4.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 0.3920 -6.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 0.9320 -6.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 -1.3700 -7.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 -0.9238 -8.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 -2.0257 -6.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1606 -2.3940 -5.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 -3.1299 -8.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 -3.5215 -7.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7416 -4.8121 -7.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 -5.4516 -8.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 -5.8579 -5.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -6.5670 -6.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -4.2319 -4.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 -5.8932 -4.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0023 -4.4238 -3.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 -3.9124 -5.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 -6.8198 -4.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -5.9926 -5.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -6.2682 -6.3162 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 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 1 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 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 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 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 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 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