HMDB0049620 RDKit 3D TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) 171170 0 0 0 0 0 0 0 0999 V2000 -1.4130 8.6048 2.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6472 7.9433 3.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 6.7237 3.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 5.5473 3.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 5.2786 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 4.3161 3.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 4.5633 2.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 5.8405 3.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 5.4679 3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 5.6985 3.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 6.3745 1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 5.4279 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 5.0746 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 5.5826 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 6.2283 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 5.8521 -3.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 4.7635 -3.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 3.6635 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0563 2.5028 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 1.8257 -3.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 2.3081 -2.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7858 0.6170 -3.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2757 0.0773 -2.0539 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1644 -0.2596 -2.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 -0.7430 -0.7645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -1.0971 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -1.0041 -1.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0335 -1.5844 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -1.8374 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1741 -2.8543 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6176 -3.0202 0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 -1.7460 0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4556 -1.2598 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2286 0.0309 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3434 0.5751 -2.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1214 1.9017 -2.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 2.3397 -3.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6361 3.4672 -3.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9447 4.4207 -2.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5126 4.5276 -3.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7005 5.4865 -2.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2889 5.5730 -3.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4411 6.5134 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0363 6.5917 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1274 -1.0713 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -2.1088 -2.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 -2.2319 -3.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 -1.2156 -4.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 -3.5421 -4.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 -4.6600 -3.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1488 -4.5830 -3.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4157 -5.7118 -2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -5.4811 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1101 -6.6298 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 -6.2927 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 -5.9752 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -5.6421 2.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -6.7619 3.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7438 -7.2393 4.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -6.7565 4.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 -7.8778 3.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 -7.5034 3.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 -6.3678 2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3122 -6.6314 1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 -5.4747 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 -5.8198 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 -6.0583 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 8.5281 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 8.0549 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 9.6562 2.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 7.8661 4.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 8.6978 4.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 6.8610 3.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 4.6827 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 6.1310 4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9203 4.7051 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5418 3.3328 3.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 3.8223 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 6.5824 3.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 6.2608 2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 4.9663 4.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1770 5.3679 3.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 6.8597 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 7.2267 2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 5.0269 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 4.3551 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 6.2602 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8221 4.6980 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 7.0431 -1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 6.3788 -4.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 4.4596 -2.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 5.2719 -3.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 3.3702 -3.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2312 4.1230 -5.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 1.8200 -5.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2055 2.8653 -5.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4397 0.8518 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 0.6687 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 -1.0657 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 -2.4443 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -0.7578 1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9997 -0.8585 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4714 -2.2096 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -3.8801 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -2.6670 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6245 -3.3676 2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0826 -3.8406 0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4562 -1.9959 1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0011 -0.9879 1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9712 -2.0561 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4753 -1.1018 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2703 -0.2255 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8014 0.7696 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8001 -0.1613 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3262 0.7951 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6181 2.5251 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1549 1.6451 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6571 1.7178 -4.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7004 3.7529 -4.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3796 5.4466 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8400 4.2129 -1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0275 3.5356 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 4.8142 -4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7273 5.1954 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1631 6.4960 -2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 4.5792 -3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2661 5.9181 -4.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 6.1252 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 7.5370 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 6.4297 -4.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 7.5625 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4389 5.7537 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1405 -0.6238 -1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -1.4875 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -3.5271 -5.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 -3.7349 -4.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -4.7141 -2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 -5.6044 -4.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -3.6242 -2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.8294 -3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -6.6681 -2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -5.8193 -1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -5.4088 -1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -4.5390 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9639 -6.8003 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -7.5258 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2887 -5.3413 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 -7.1024 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 -5.0489 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 -6.8225 0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7245 -5.1073 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 -4.8645 3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 -7.2544 3.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -8.0850 4.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 -6.5786 5.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2662 -5.8231 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -8.2094 2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8643 -8.7333 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0104 -8.4285 3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7824 -7.2959 4.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 -5.3807 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8810 -6.2869 2.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8544 -7.5151 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -6.8639 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7706 -5.4165 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2372 -4.5177 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 -6.7401 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 -5.0242 -1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -5.4395 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4841 -7.1047 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 -5.7736 -0.2721 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 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 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 23 45 1 0 45 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 2 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 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 1 24 98 1 0 24 99 1 0 28100 1 0 28101 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 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 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 66167 1 0 66168 1 0 67169 1 0 67170 1 0 67171 1 0 M END