HMDB0005409 RDKit 3D TG(18:0/18:2(9Z,12Z)/20:0) 175174 0 0 0 0 0 0 0 0999 V2000 -4.3750 -0.3181 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2687 -1.8031 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 -2.1188 3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -3.4829 4.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -4.6224 3.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -5.0504 2.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -6.2541 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -7.2161 3.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 -7.7099 3.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 -7.4960 4.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 -6.6627 5.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -5.5774 6.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 -4.6090 5.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -5.2277 4.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8054 -5.9105 5.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -6.6579 4.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -6.0952 3.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 -5.5444 2.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -5.5040 2.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4827 -5.0455 1.7374 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8335 -4.4989 0.6030 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5029 -3.1462 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7176 -2.1077 0.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -1.7185 1.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -2.4206 2.8595 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -0.3982 1.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 -0.4626 1.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -1.4974 0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -1.2771 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -2.2307 -1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 -2.2096 -1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -2.2505 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -2.3842 -1.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -1.3130 -2.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3202 0.0983 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6595 1.0538 -2.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6595 2.4913 -2.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6573 2.8451 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5901 4.3328 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5633 4.7276 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3081 4.0256 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3086 4.4703 2.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -5.3672 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 -4.5902 -1.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -3.9462 -2.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -4.0273 -2.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -3.1723 -3.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3409 -2.3375 -4.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 -1.3187 -3.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -0.4141 -4.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 0.5081 -3.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 1.5290 -4.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0435 2.4867 -5.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 3.2166 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 4.0075 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 5.0926 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 6.1297 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 6.8235 -3.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 7.5649 -2.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3403 8.2212 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 7.2332 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 6.2944 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 5.3185 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 4.3165 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 4.8249 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 0.3254 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 -0.0217 2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1541 -0.1628 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -2.0910 2.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6179 -2.3190 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2694 -1.9943 3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1803 -1.3589 4.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 -3.6301 4.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0067 -3.4771 5.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4913 -4.3902 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8018 -5.4629 4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4899 -4.4325 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -6.5049 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7302 -8.1089 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -6.9507 4.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -8.3350 2.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -7.9394 5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 -6.3060 5.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9751 -7.3780 6.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 -6.0067 7.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -4.9344 7.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 -3.9973 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -3.8864 6.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7383 -5.8777 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -4.3069 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2898 -6.5521 6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 -5.1012 6.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 -7.6257 4.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -7.1782 5.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 -6.8037 3.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 -5.2340 4.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9067 -4.3298 -0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 -3.0500 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -3.2369 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 0.3030 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 0.0762 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.4923 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5184 -0.8379 2.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 -1.4044 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 -2.5257 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.2476 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -1.2087 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -2.2048 -2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -3.3155 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 -3.0903 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7998 -1.3349 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -1.2371 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 -3.0862 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 -3.3869 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8292 -2.4166 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 -1.4330 -2.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6593 -1.4120 -3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0837 0.2625 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 0.3353 -1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6769 0.7933 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9428 0.9086 -3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6608 2.8098 -2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 3.1678 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6728 2.6241 -1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 2.2639 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7909 4.9307 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 4.6326 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6189 4.5351 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4805 5.8221 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 4.2787 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4027 2.9163 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3180 4.6080 1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9741 5.4497 2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3077 3.6845 3.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5754 -5.7709 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 -6.2281 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 -2.5786 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 -3.9416 -3.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -2.9719 -4.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0686 -1.7563 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -1.8509 -3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 -0.7284 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 -1.0147 -5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 0.2330 -5.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1212 -0.0982 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 0.9374 -2.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 2.1068 -3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5587 0.9778 -5.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4299 3.2331 -5.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 1.9696 -5.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 2.4857 -3.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 3.8738 -4.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4587 3.3291 -2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 4.4859 -2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 5.5585 -3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 4.6520 -4.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 6.8375 -5.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7526 5.6673 -5.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 7.5858 -4.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 6.0976 -3.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 8.4039 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 6.9737 -1.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 8.7250 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 8.9788 -2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 6.7484 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 7.8460 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 6.9569 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 5.8441 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5278 4.7069 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 5.8347 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5101 3.5634 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 3.6890 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 4.1642 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5464 5.8630 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0977 4.7926 -1.7515 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 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 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 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 6 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 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 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 64172 1 0 65173 1 0 65174 1 0 65175 1 0 M END