HMDB0050804 RDKit 3D TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) 177176 0 0 0 0 0 0 0 0999 V2000 2.4234 3.3798 7.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 2.7537 8.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 3.6779 9.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 4.2444 9.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 3.9995 9.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 3.4648 10.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 2.3106 10.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 1.3149 9.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6518 1.0833 8.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 1.2622 7.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 1.7193 6.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 2.9631 5.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 3.0955 4.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5088 1.9645 3.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 1.7777 2.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 1.7486 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 1.8825 0.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3374 3.0183 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2401 2.9402 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 4.0194 -2.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4145 5.1107 -2.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8592 3.7432 -3.4093 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 4.7382 -4.3491 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9555 4.1794 -5.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3214 2.9135 -5.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 2.1626 -7.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 2.6513 -7.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8962 0.8534 -7.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 -0.0320 -6.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 0.4110 -4.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 -0.6140 -3.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -0.2113 -2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 1.2135 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0808 2.1282 -2.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 2.0782 -2.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 2.7224 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 2.1893 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 0.8400 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2403 0.1521 1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -0.1515 2.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 0.1777 2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 -1.0494 3.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 -1.4565 2.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 -0.6583 1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 -1.4803 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5557 -0.5509 -0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -1.2200 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 -1.6295 -2.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 4.8625 -4.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 3.8440 -5.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9926 3.7355 -5.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 4.5913 -4.8123 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 2.7260 -6.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 1.9317 -5.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 1.0385 -6.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 0.1583 -6.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 -0.9412 -5.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 -1.8617 -6.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 -2.9777 -5.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -2.4348 -3.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 -3.5392 -2.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -4.3838 -3.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -4.5128 -2.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 -3.8719 -1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -4.9509 -0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -5.8284 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4939 -6.8812 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 -7.7496 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 -8.7955 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4639 -8.2064 2.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -9.3058 2.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 2.6157 6.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 4.2918 6.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 3.6732 7.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 1.8054 8.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 2.4829 7.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4975 3.9269 9.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 4.9478 10.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 5.0622 9.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9652 3.3708 8.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 4.0808 11.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 1.9881 11.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 0.3090 9.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 1.5247 8.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 0.7390 9.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9971 1.0608 7.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 1.8161 6.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 0.8425 5.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6461 3.8747 6.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 4.0610 4.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1658 1.0315 3.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 2.3749 2.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7123 1.6621 3.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7049 1.6280 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 0.9502 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 1.6120 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5644 4.0031 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 3.0937 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 1.9448 -1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 3.1623 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0453 5.6502 -4.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 4.8707 -6.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 4.1539 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5609 0.3175 -8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 0.8774 -7.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -1.0336 -6.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -0.2331 -5.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 0.4082 -5.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 1.4064 -4.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -0.6724 -3.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -1.5929 -4.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -0.2886 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -0.8293 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 1.4074 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 3.1791 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 2.7511 -2.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8356 1.0812 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 3.7692 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 2.8209 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 0.9498 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 0.2676 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.1461 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1374 -0.6884 3.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 0.6921 4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 0.9036 2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4719 -1.7098 4.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 -2.4156 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7647 -0.5133 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 0.2730 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -2.3700 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 -1.7509 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5391 -0.3187 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 0.4030 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 -0.5307 -2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3843 -2.1272 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 -1.3139 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4589 -2.7168 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -1.0829 -3.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 5.8702 -4.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5202 4.9020 -3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 2.0287 -6.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 3.2505 -7.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 2.6112 -5.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 1.3732 -4.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4225 0.4585 -7.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6007 1.7164 -7.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9099 -0.2886 -7.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 0.7925 -6.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 -0.4689 -4.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -1.5523 -5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -2.2763 -7.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 -1.2503 -6.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 -3.7047 -4.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 -3.5708 -5.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -1.8046 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 -1.8971 -3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9365 -4.1533 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -3.0762 -1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -4.9087 -4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -5.1890 -3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -3.2817 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0985 -3.2480 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -4.4631 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 -5.5735 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 -6.4167 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 -5.2475 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -7.5069 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7973 -6.3760 1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 -7.1530 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 -8.2823 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 -9.3996 0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -9.5375 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3868 -7.6258 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6586 -7.6122 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -9.0080 4.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -10.2907 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9481 -9.4149 3.0950 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 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 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 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 1 24102 1 0 24103 1 0 28104 1 0 28105 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 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 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 60156 1 0 61157 1 0 61158 1 0 62159 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 68169 1 0 68170 1 0 69171 1 0 69172 1 0 70173 1 0 70174 1 0 71175 1 0 71176 1 0 71177 1 0 M END