HMDB0055293 RDKit 3D TG(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -0.6487 -1.1337 -4.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 -0.5506 -5.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -0.1244 -4.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 1.1114 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0952 2.2605 -5.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 3.2240 -4.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 3.6525 -4.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 3.1695 -4.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 4.3197 -5.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 4.7180 -4.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3538 4.2077 -3.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 3.0503 -3.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 1.9914 -3.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0683 2.0284 -4.2763 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4772 2.0886 -4.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0821 2.1462 -2.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4917 2.1601 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8221 3.4704 -0.9327 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5778 3.5435 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2221 2.4737 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8377 2.2973 2.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4649 1.8692 2.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 1.5896 1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0167 1.7679 3.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 1.3199 4.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6595 -0.1798 3.8282 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8357 -0.8980 4.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9384 -2.2164 4.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1155 -3.2332 4.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1012 -3.0357 5.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4142 -4.6027 3.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2452 -5.5530 4.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0435 -5.0412 3.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 -4.9290 1.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 -4.3721 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 -5.0938 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -4.3504 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -4.2412 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -4.7052 -2.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -5.4336 -2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 -6.7956 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 -7.2535 -4.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3713 -6.4934 -4.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -7.2478 -4.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 -6.7146 -4.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8741 -5.3480 -3.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3856 -5.4378 -2.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 -0.7191 4.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -1.0277 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6581 -0.7338 2.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -1.6348 3.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -0.8278 3.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -0.3206 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 0.3833 2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 1.5316 3.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 2.2062 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 3.3128 4.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7245 3.9678 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 3.0040 3.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 3.7148 3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 2.7159 3.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 3.3809 3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3563 3.1071 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 2.0329 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9321 2.6199 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8169 2.4834 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5783 1.8221 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 2.7370 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 3.4237 -1.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 4.3153 -1.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 5.3618 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7093 -0.3664 -3.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -1.9938 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 -1.4388 -4.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 0.1854 -5.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -1.4285 -6.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 -0.8957 -4.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 1.3099 -4.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 1.9062 -6.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 2.7584 -6.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 3.6261 -3.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 4.3629 -3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 2.5700 -3.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 2.4807 -5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 4.8586 -6.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 5.6474 -5.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5335 5.0803 -3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4154 4.2864 -4.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 2.9098 -2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8893 1.0872 -2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8771 1.0126 -4.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8632 2.7284 -5.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1927 2.0870 -4.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2101 2.1996 -2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4402 1.9466 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0151 1.3104 -0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4158 4.3974 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7684 4.5739 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3336 2.7911 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3010 1.4895 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0458 3.2584 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5102 1.4881 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 1.8509 3.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6187 1.4131 5.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6923 -0.1119 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7945 -0.3985 3.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9043 -0.6912 5.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2083 -4.9917 4.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8785 -4.6600 2.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5466 -6.5320 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9911 -5.5909 5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 -5.8776 3.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 -4.1603 3.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 -4.2964 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 -5.9365 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 -4.3457 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -3.2899 1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 -5.1825 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 -6.0919 0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0804 -3.2803 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 -4.6588 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5686 -3.7051 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 -4.5806 -3.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -5.6133 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9066 -4.8412 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 -7.4387 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 -8.2907 -4.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -6.6779 -5.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -5.4341 -4.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -8.2916 -5.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 -7.2880 -4.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 -4.6958 -4.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -4.8929 -4.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 -5.3921 -2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 -6.3914 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0057 -4.5832 -1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 -2.0074 4.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -2.6043 3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0399 -1.3924 4.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 0.0853 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 -1.1219 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 0.4433 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 0.8339 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -0.3215 2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 2.3394 3.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 1.2402 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 2.5738 2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.4007 3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 4.0493 3.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3271 2.9237 5.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 4.4407 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7975 4.8066 4.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 2.1394 3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 2.6217 5.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3479 4.4447 4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 4.2268 2.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3369 2.4140 4.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1261 1.8027 3.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8717 4.2123 4.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2809 3.6924 2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9241 1.2843 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 1.5025 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8052 3.1690 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8309 2.9676 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 0.9884 -0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 1.3305 0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 2.0501 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 3.4247 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9876 4.0388 -1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 2.6739 -2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 4.7555 -2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 3.6706 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 5.3305 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 6.3639 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 5.2964 0.5602 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 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 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 2 0 63 64 1 0 64 65 1 0 65 66 2 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 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 6 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 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 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 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 70171 1 0 70172 1 0 71173 1 0 71174 1 0 71175 1 0 M END