HMDB0055478 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -2.3475 -10.9607 1.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0984 -9.4453 1.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 -8.8306 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -8.1473 3.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 -7.7947 4.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -8.2352 4.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -7.4321 4.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 -5.9660 4.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -5.2634 5.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -4.4144 4.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -4.0698 3.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 -4.4490 3.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -3.6508 3.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 -2.2206 3.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0812 -1.9964 1.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0764 -0.5480 1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -0.4977 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 0.8214 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.5437 -1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 0.8152 -2.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -0.4217 -2.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 1.4656 -3.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.7063 -4.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 1.6006 -5.2412 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9079 0.6807 -6.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 -0.0708 -5.8909 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 0.3661 -5.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 1.5976 -5.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -0.5390 -5.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8159 -0.1721 -5.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 -0.9479 -5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 -0.9673 -4.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1789 0.2905 -3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 0.8983 -2.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 0.3473 -1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 0.0302 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 0.5843 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 1.6393 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 2.8861 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5129 3.4383 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 2.8001 3.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 2.5039 4.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7244 3.0444 5.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 3.9597 6.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 3.2859 6.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 2.5092 -5.7405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 3.8722 -5.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 4.0730 -5.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 4.9719 -6.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 6.2972 -5.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 6.3607 -4.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 6.2705 -3.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0398 6.0456 -1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 5.9608 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 5.3847 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7294 6.2084 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 5.5654 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 4.5450 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 3.3340 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 2.3590 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7289 1.0772 0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 0.4632 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7722 -0.6274 -0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2794 -1.8348 -0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 -2.2070 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -3.2574 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8206 -3.4104 0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3147 -4.3609 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -3.9303 2.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2773 -11.2264 2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -11.2882 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -11.4590 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -9.1511 0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -9.1876 2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 -8.9665 1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 -7.7507 3.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -6.7348 4.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -8.3456 5.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 -9.3357 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -7.8469 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1791 -5.6927 3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -5.7227 4.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2234 -5.5084 6.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -3.8874 5.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 -2.9735 3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -4.6254 2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 -5.5015 3.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -4.0550 3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 -1.9174 3.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9023 -1.6717 3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 -2.6613 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -2.3024 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -0.1527 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 0.0851 2.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 -1.3151 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -0.8279 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9862 0.6923 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6541 1.4830 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 1.8138 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 2.4999 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 0.1043 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -0.0024 -4.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 2.0302 -4.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 1.2656 -7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 0.0464 -6.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -0.2985 -4.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -1.5930 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9749 0.9443 -5.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6132 -0.2797 -6.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8257 -0.6043 -6.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 -2.0315 -5.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5493 -1.6534 -4.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 -1.4961 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 0.8058 -4.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 1.8606 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0537 1.1164 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -0.5881 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -0.7317 -0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 0.3053 1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6799 1.8864 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 1.2360 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 3.3811 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 4.3686 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 3.3876 3.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 1.7919 3.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0251 1.8418 4.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2482 2.7869 6.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 4.3521 5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 4.8641 6.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4006 3.8887 6.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9095 3.3288 8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 2.2496 6.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8034 4.9093 -5.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 4.9210 -7.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7206 7.1371 -6.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 6.2473 -6.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 7.4784 -4.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 5.8445 -4.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 5.4313 -3.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 7.1966 -3.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 6.8926 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 5.0898 -2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6886 5.2326 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 6.9197 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 4.3342 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 5.4701 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 6.5108 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 7.1968 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 5.2390 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 6.4093 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5306 5.1034 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 4.2887 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 3.4984 -0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 2.7703 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6245 2.7369 1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 0.3915 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 1.1422 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9832 0.0721 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 -0.3529 -1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 -2.6419 -1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 -1.3716 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -2.7132 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -2.9889 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8963 -4.2559 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3015 -2.4166 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -3.7894 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -4.3943 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -5.4014 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2816 -4.7237 3.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5796 -2.9889 3.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 -3.7078 3.0795 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 2 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 2 0 43 44 1 0 44 45 1 0 24 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 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 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 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 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 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 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 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 61156 1 0 62157 1 0 62158 1 0 63159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END