HMDB0045359 RDKit 3D TG(18:0/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 169168 0 0 0 0 0 0 0 0999 V2000 4.3337 6.7147 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 5.6110 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8134 5.3986 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 4.2890 -2.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 3.0681 -1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0628 1.9225 -1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 0.8250 -2.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 0.6884 -2.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 -0.3900 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.4629 -2.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 -1.8387 -4.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -2.1163 -5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -1.5345 -6.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -0.4893 -7.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 0.6953 -7.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 1.6241 -6.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 2.3475 -5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 3.3884 -4.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0151 2.9752 -4.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 2.0155 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.3838 -2.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 1.8135 -2.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9028 0.8688 -1.1736 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1090 0.0174 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -0.9382 -0.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -2.0624 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 -2.2866 -0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 -2.9706 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 -4.1273 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 -5.1306 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2305 -5.8580 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -5.8634 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -5.1137 -2.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -6.0219 -3.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -6.0594 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 -5.2669 -4.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 -4.4405 -5.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 -3.1762 -6.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 -2.3820 -4.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8983 -1.7924 -5.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1584 -0.5258 -5.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 0.5740 -4.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 1.4072 -3.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7815 2.5246 -3.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 3.6057 -4.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 3.2488 -5.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 1.7967 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4996 1.1711 1.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 0.3476 1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 0.1109 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -0.2925 2.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 -1.3585 2.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3207 -1.9564 3.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -2.4748 4.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6196 -3.1143 6.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 -3.5093 6.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -2.2360 7.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 -1.2736 7.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.0019 8.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 0.6925 7.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 2.0560 7.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 2.9669 7.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 3.1037 6.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 4.0139 7.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 4.2532 6.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 2.9363 6.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 3.1396 5.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 6.7801 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7444 7.6875 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 6.4139 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 4.7873 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 6.0623 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 6.3074 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 4.2954 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 3.2616 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 2.9182 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0054 2.0333 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 -0.0124 -2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8733 0.3671 -3.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 1.5813 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -0.2290 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -2.1820 -2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 -2.8502 -4.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 -1.1259 -4.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 -2.9011 -4.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 -1.8825 -6.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 -0.2381 -6.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 -1.0098 -7.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 0.2877 -8.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8594 1.2454 -8.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 1.1229 -6.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 2.4387 -7.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 2.8824 -5.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 1.6876 -4.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 4.2642 -5.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 3.8657 -4.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5802 3.8920 -3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 2.4196 -5.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0502 0.3700 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 -0.4645 -2.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 0.6984 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -3.3293 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 -2.3367 2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 -3.8241 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.6742 2.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 -5.9220 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -4.7086 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 -6.4405 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 -6.4518 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 -4.5328 -2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 -4.3370 -2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -6.6949 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5952 -6.7877 -5.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 -6.0988 -5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 -4.8424 -3.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5894 -4.9695 -6.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9488 -2.5832 -6.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8546 -1.5766 -4.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 -2.9687 -3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7373 -2.4954 -5.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2058 -0.1786 -5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 1.2047 -5.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 0.2253 -4.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7317 1.7497 -3.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7343 0.7124 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 3.0569 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7879 2.1529 -2.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 4.3739 -3.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 4.1813 -4.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 4.0623 -5.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 2.3457 -5.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 3.2776 -6.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0823 2.5051 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 2.4246 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0759 -0.7463 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 0.4216 3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 -0.7911 2.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -2.1313 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -2.8643 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -1.2833 4.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 -3.2191 4.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4568 -1.6126 4.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -2.5224 6.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 -4.0800 5.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 -4.1409 6.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -3.9223 7.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 -2.6037 7.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8221 -1.7737 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -1.0024 7.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -1.7910 8.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -0.1877 9.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.6274 8.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5183 0.0821 6.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 0.7516 6.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 1.9843 8.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5609 2.5020 6.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 3.9629 8.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 2.6052 8.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 2.0932 6.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 3.5510 6.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 5.0012 7.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 3.5618 8.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 4.9698 7.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 4.6597 5.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 2.2995 5.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 2.4256 7.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 3.4502 6.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3148 2.1464 4.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 3.8540 4.6347 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 23 47 1 0 47 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 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 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 46132 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 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END