HMDB0045729 RDKit 3D TG(20:0/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 179178 0 0 0 0 0 0 0 0999 V2000 -9.2803 5.8536 -2.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5666 5.5051 -3.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6499 4.0463 -3.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 3.2972 -3.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1924 3.8907 -4.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9829 3.1258 -3.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9343 3.6586 -3.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8673 5.0971 -3.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6544 5.2431 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6711 5.8817 -0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 6.5819 -1.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 6.0813 -1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 5.6286 -2.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 5.5470 -3.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 6.4662 -4.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 6.1587 -5.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 4.8020 -5.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 4.5356 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 3.5040 -4.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 2.4289 -4.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 2.3358 -2.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 1.1270 -2.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.0804 -2.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 0.9620 -2.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -0.3478 -1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 -0.3737 -1.4570 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1655 -0.1222 -2.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 -1.1202 -3.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -1.3001 -4.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -0.5495 -5.5379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -2.4360 -5.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -3.3943 -4.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 -4.5201 -5.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -5.4491 -4.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 -6.0952 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1081 -6.9575 -2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5341 -6.0813 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4665 -5.0462 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 -4.1633 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -4.8243 1.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -3.7621 2.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -4.3007 3.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 -5.1121 4.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -5.6652 5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -4.5985 6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -5.1526 8.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 -5.9968 8.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -5.1774 7.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 -5.9740 7.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.4805 -0.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 0.0798 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -1.1467 1.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 0.9936 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 2.4394 1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3185 2.9903 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 2.8824 1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 3.5317 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 3.3642 3.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 1.9280 4.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 1.8494 4.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 0.3569 4.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6004 0.1541 5.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -0.5140 5.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 -1.1615 3.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 -0.5084 2.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7629 -1.0784 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 -0.8857 0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6444 -1.4688 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 -2.9397 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5809 6.9250 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1961 5.8201 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8481 5.2729 -1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5609 5.9501 -3.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8445 6.0369 -4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4577 3.6285 -3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9518 3.8867 -4.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1458 3.3230 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4617 2.2297 -3.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1754 4.9457 -4.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5008 3.7171 -5.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 2.0324 -4.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0682 3.0349 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 5.7162 -3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 5.4858 -3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4078 4.7603 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6336 5.9152 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 6.6300 -2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 7.6893 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 6.1126 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 5.2852 -1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 5.6558 -4.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 4.4893 -3.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1493 7.5700 -4.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 7.0026 -5.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 4.0976 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 4.8927 -6.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 5.2491 -5.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 3.4132 -4.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 2.3877 -4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 1.4472 -4.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 2.2784 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1188 3.2589 -2.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -0.5453 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 -1.1053 -2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -1.4636 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 0.8516 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 -0.2630 -2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -2.9207 -6.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.0670 -6.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0391 -2.8820 -3.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 -3.7597 -4.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 -4.0366 -5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 -5.1048 -5.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -4.8130 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2983 -6.1975 -4.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 -5.4841 -3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9209 -6.8516 -4.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 -7.7764 -2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -7.3629 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -6.6860 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 -5.5307 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3411 -5.6070 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 -4.4543 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 -3.6196 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 -3.3750 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -5.5048 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 -5.4070 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 -3.0704 2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8153 -3.1471 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -3.4363 4.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 -4.9019 3.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -5.9559 3.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -4.4755 4.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -6.3583 5.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 -6.2934 6.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -4.0003 7.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 -3.9079 6.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 -5.7181 8.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 -4.2919 8.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 -6.2526 9.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 -6.9533 7.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 -4.3529 8.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -4.6503 6.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 -5.9197 8.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 -5.4575 6.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1818 -7.0188 7.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 0.6922 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 0.7686 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 2.6063 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 3.0486 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 4.0919 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 2.5695 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 1.7779 2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 3.2685 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 3.1542 3.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 4.6239 3.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 3.7884 3.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 3.9512 4.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7438 1.3844 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 1.4875 4.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 2.3078 4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 2.3015 5.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 0.0427 5.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0826 -0.2375 4.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 0.5776 6.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -0.6258 5.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.1416 3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 -2.2246 3.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6546 -0.6731 3.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4883 0.5861 2.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 -0.6003 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0438 -2.1505 1.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 -1.3145 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 0.2051 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 -0.9778 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 -1.2804 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9975 -3.1862 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 -3.4005 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -3.4303 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 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 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 49146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END