HMDB0042132 RDKit 3D TG(14:0/16:0/20:1(11Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -1.3082 4.1646 3.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 4.2170 2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7721 3.6851 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9738 2.2379 2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 1.7152 1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4881 2.4391 2.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 1.9374 1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0738 0.4594 2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4124 0.1778 1.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6835 -0.7198 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6886 -1.6178 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -3.0406 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3355 -3.3744 1.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9862 -3.4179 2.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1629 -4.5065 1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8048 -4.6647 2.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -5.7810 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 -6.1440 2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 -5.0962 2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -4.5390 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 -3.5092 0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 -5.0990 0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -4.7757 -1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0304 -3.6813 -1.1138 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6018 -2.4272 -0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.8370 -1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -0.6822 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6921 -0.2787 0.3935 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 -0.0413 -1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 0.8836 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 2.1465 -2.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 1.9774 -2.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 3.3700 -1.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2822 3.1357 -1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0731 4.4094 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4529 5.1822 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 6.4673 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 6.1965 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 7.5328 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7442 7.3582 1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 6.7110 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -3.3850 -2.4381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 -3.6074 -2.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -4.1166 -2.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 -3.2524 -4.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -1.8930 -4.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 -1.3505 -5.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 -0.0364 -5.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2991 0.1574 -4.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -0.1589 -3.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 0.4738 -2.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 -0.0068 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 0.5312 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6892 0.0114 1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 0.4033 2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 -0.1320 2.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 0.2025 3.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4071 1.6655 3.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 1.9386 5.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 4.6049 3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1311 4.7719 4.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 3.1250 4.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 3.5623 1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 5.2557 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5909 4.2921 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7926 3.7862 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 1.5996 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 2.1839 3.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 1.8862 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 0.6314 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 3.5244 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 2.4251 3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6359 2.5649 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8349 2.0734 0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 -0.1419 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0442 0.3548 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2418 0.8233 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7636 -0.8048 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6899 -1.5448 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 -1.5025 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6188 -3.7927 -0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2953 -3.0739 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8366 -4.3806 1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9971 -2.6531 2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5232 -2.4222 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0796 -3.6848 3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7202 -5.4627 1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 -4.3448 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 -3.7290 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9902 -4.9975 3.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6979 -6.7092 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 -5.4853 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3515 -6.9882 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -6.5775 3.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -5.5583 2.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 -4.2672 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -5.7282 -1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -4.4967 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -4.0981 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4109 -2.5221 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -1.7134 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 0.5453 -0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 -0.7804 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 1.1780 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 0.3596 -3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 2.7741 -3.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 2.8239 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 1.4944 -2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 1.4191 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 3.8485 -2.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 3.8620 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 2.5400 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 2.5017 -2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 4.9748 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 4.1427 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 5.4242 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 4.5522 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6507 6.9823 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1899 7.1588 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 5.5484 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 5.6990 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 8.1311 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 7.9924 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8603 6.8411 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 8.3869 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 6.5227 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0105 5.7791 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3945 7.3522 -0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -4.0481 -4.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 -3.1228 -4.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 -1.2243 -3.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -2.0405 -3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0537 -2.0759 -6.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -1.3388 -6.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 0.8006 -5.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 0.2225 -6.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0405 -0.5016 -5.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7334 1.1863 -5.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 -1.2104 -3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5982 0.2983 -3.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8440 1.5876 -2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 0.3676 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1631 -1.0927 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 0.4720 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 1.6304 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 0.0502 -0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 0.2894 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6567 -1.1049 1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -0.0803 3.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 1.4870 2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4455 -1.2324 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 0.2904 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5561 -0.1969 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -0.3473 4.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 2.0877 2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 2.1358 4.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 2.0815 5.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 1.1214 5.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9702 2.8910 4.9568 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 1 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 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 1 0 27 28 2 0 27 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 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 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 0 23 98 1 0 24 99 1 1 25100 1 0 25101 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 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 41128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 59159 1 0 M END