HMDB0042808 RDKit 3D TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 155154 0 0 0 0 0 0 0 0999 V2000 6.2546 -3.9994 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4524 -2.9858 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3909 -2.0435 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4782 -0.7577 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 0.1399 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 -0.3634 -1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -0.0900 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 0.8270 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1932 1.9551 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9413 2.2398 -0.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.4122 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 0.9018 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 1.1554 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.9420 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 1.0253 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9965 1.3329 1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5839 2.5684 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7125 2.5152 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5509 1.8610 -1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2472 0.4177 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2856 -0.4644 -0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8985 -1.8682 -1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8246 -2.6658 -1.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -2.4213 -0.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 -3.8339 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9937 -4.1367 -0.8747 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6295 -5.5151 -1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 -5.8121 -1.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 -5.0961 -2.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 -4.1572 -2.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 -5.3957 -2.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -4.2703 -2.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -3.7322 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 -4.6487 -5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4036 -5.1737 -5.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -4.0332 -5.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 -3.1743 -6.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -2.0418 -6.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -1.1466 -7.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -0.5315 -7.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 0.3195 -6.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2034 1.4700 -6.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 2.3162 -5.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -3.8455 0.4601 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6822 -2.9047 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -2.3489 -0.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 -2.5755 2.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -1.7224 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -1.3074 3.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.4770 3.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6531 -0.0269 5.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 1.2252 5.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 2.3147 4.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9116 3.0725 4.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 4.3593 4.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 5.2556 5.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 5.9310 6.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0631 5.8540 7.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1819 5.0767 7.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 4.0987 8.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 4.1394 9.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 5.0965 9.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 5.9235 10.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -4.7388 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9992 -3.4343 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 -4.5013 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -3.6494 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 -2.5641 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 -2.4865 1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 -0.2762 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 1.0065 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 0.6903 -1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 -1.0477 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 -0.5339 -2.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.2153 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6419 1.2489 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8288 2.5805 -1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 3.0812 -1.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 0.5510 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 2.1204 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.3097 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 0.7413 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 2.3019 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2797 2.8622 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 0.0834 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 0.5867 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1021 2.9891 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8962 3.4243 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6678 2.1504 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9662 3.6063 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5282 2.0097 -1.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 2.3846 -2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2639 0.1357 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2368 0.1130 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2623 -0.2224 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4136 -0.2816 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -3.9981 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1295 -4.4062 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 -3.4355 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -6.2314 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1233 -5.6796 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -6.2381 -2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -5.7615 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 -4.4918 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -3.3985 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 -3.2269 -3.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.8725 -3.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2843 -5.5123 -5.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7539 -4.1209 -5.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 -5.7469 -6.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 -5.8383 -4.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4498 -3.4755 -4.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4383 -4.4501 -5.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 -2.7137 -6.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1964 -3.8008 -7.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1531 -2.4663 -6.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 -1.4591 -5.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -0.3722 -7.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9869 -1.7614 -8.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 0.1690 -8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 -1.2666 -7.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 0.6948 -6.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -0.3162 -5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 2.1441 -7.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 1.1152 -6.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 3.3702 -5.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 2.2943 -4.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 1.9351 -4.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 -3.5303 2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2317 -2.1687 2.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2462 -2.3475 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 -0.8283 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 -2.2260 4.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -0.7235 4.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5121 0.2421 2.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 -1.2195 3.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 -0.8184 5.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8639 1.4705 6.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 2.9707 4.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5649 1.9775 3.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8545 2.4941 4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 4.7801 4.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 4.8296 4.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9721 6.1460 4.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8651 6.5689 6.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.4008 8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 5.7059 7.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 4.4107 6.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4026 3.3543 8.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1638 3.4070 10.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4085 5.7303 8.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 4.4999 9.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 6.2711 10.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 6.7988 10.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 5.3227 11.3324 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 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 1 0 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M END