HMDB0055650 RDKit 3D TG(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0) 174173 0 0 0 0 0 0 0 0999 V2000 2.3020 6.2846 -4.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 7.6620 -3.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 8.3443 -4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 8.7619 -3.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 8.6532 -2.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 7.8399 -1.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7463 6.7352 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 6.1047 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 6.0139 1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 4.9302 1.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 3.6008 1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 2.7939 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 2.2469 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1092 2.3587 -1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 0.9481 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 0.8852 -3.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 1.5199 -3.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 1.0473 -2.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6395 1.0721 -1.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2162 0.5761 -1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8485 -0.0451 -0.2894 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 0.8368 -2.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 0.4131 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6552 0.9837 -3.5163 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9977 0.4755 -3.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2389 -0.8572 -3.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -1.1862 -4.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0488 -2.4750 -3.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2811 -3.7207 -3.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 -3.7157 -3.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -3.4765 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 -3.4652 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 -4.6989 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -5.5575 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 -6.7062 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 -7.5285 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -8.7222 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -9.5118 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -10.7054 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7299 -11.5572 2.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 -10.9528 4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 -10.3715 5.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 -9.1976 4.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -8.7454 5.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5012 2.3388 -3.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 3.2021 -4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 2.7268 -5.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 4.6938 -4.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 4.8922 -3.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 6.2570 -2.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 6.5005 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 5.3516 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 5.4732 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 5.5505 1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 5.5447 2.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 5.4701 2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 4.4382 2.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 3.2299 3.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3938 3.1087 4.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 2.0614 5.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 0.8829 4.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -0.2902 5.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -1.0734 4.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6447 -0.8892 3.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -0.6797 3.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9041 -0.4967 2.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3488 -0.3005 2.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 -0.1153 1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2698 5.5285 -3.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 6.1631 -5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 6.1309 -5.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 7.5034 -2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 8.1873 -4.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6203 8.5005 -5.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 9.2540 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7822 9.7430 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 8.2809 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7821 8.1372 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6754 6.1613 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 6.7750 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2782 5.1720 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9574 6.9961 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 5.0075 2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 3.1125 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 3.5970 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 2.6333 2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 1.6756 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 2.7757 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 3.0236 -1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 0.2558 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 0.5458 -1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 -0.2203 -3.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 1.2165 -3.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2512 2.6475 -3.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 1.4008 -4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 0.0000 -3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0969 1.6584 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 2.1291 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2462 0.4783 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5563 0.7977 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -0.6661 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 0.5516 -4.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7698 1.1495 -3.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 0.5878 -4.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 -0.3629 -3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3769 -1.0551 -5.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4952 -2.4724 -2.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9854 -2.6007 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9915 -3.9694 -4.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8761 -4.5647 -3.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 -2.9669 -3.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 -4.6873 -3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 -4.2574 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -2.5129 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 -2.7352 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3151 -2.9090 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 -5.3241 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4411 -4.3860 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1808 -5.0764 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 -6.1231 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 -7.3207 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 -6.2457 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 -6.9186 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -7.8201 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -9.3489 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -8.3470 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -9.8220 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -8.8504 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0364 -11.3696 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 -10.5485 2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -12.3770 3.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -12.1319 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -10.1809 4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 -11.7710 4.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 -9.9791 6.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -11.1425 5.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 -9.3208 3.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 -8.3427 4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -8.3517 6.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -7.9991 5.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0553 -9.6655 6.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 5.2927 -4.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 5.0020 -3.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 4.0661 -2.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 4.8583 -4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 7.1181 -3.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 7.4808 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 4.3647 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 5.5750 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4691 5.4974 -0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6844 5.6402 1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 4.8764 3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 6.5807 3.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6095 6.2962 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 4.4558 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 2.3308 2.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 3.2857 3.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4925 3.9264 5.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7352 2.0882 6.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2942 0.9675 3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6751 0.7152 4.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 -0.4905 6.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -1.9120 5.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -1.8213 2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 -0.0295 2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -1.5447 4.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 0.2526 4.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7846 -1.4159 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 0.3542 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 0.5830 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6627 -1.2186 3.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7975 0.6186 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3224 -1.1116 1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2287 0.2123 1.8056 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 1 0 28 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 6 25103 1 0 25104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 44139 1 0 44140 1 0 44141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 67170 1 0 67171 1 0 68172 1 0 68173 1 0 68174 1 0 M END