HMDB0045314 RDKit 3D TG(18:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -8.3120 3.0761 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8809 2.4806 -1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9816 3.6074 -1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9991 3.7881 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 2.9095 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0391 1.6036 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 1.1355 1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 1.7605 2.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6663 3.1566 3.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8933 3.6529 4.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 2.9233 5.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 3.4370 6.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 2.6786 7.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 1.2160 7.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4403 0.6035 7.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6543 -0.5237 6.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -1.4578 6.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0324 -1.6698 4.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1174 -1.7077 3.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6797 -1.5635 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 -0.4508 3.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -0.4327 3.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0394 -1.3935 3.7736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 0.6235 2.6302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 0.6000 2.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 1.9287 2.1093 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6086 2.9760 3.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3302 2.6297 4.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 2.6816 4.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 3.0668 3.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 2.2635 5.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 0.8478 5.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -0.2446 5.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0808 -0.5380 4.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 0.3474 4.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9892 0.8175 2.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9993 -0.2768 1.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8574 0.4237 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 1.3658 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 2.0720 -1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 1.5387 -2.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 0.4139 -2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.9793 -2.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0293 -1.9861 -3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 -3.4020 -2.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -3.7895 -3.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 -3.6672 -4.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 2.0070 0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.9645 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4002 1.8506 -0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 2.0473 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 1.2106 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -0.2582 -1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -1.1055 -1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4605 -1.1015 -2.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 -1.5606 -3.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2109 -2.9693 -3.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 -3.9880 -3.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 -4.9474 -4.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 -5.1079 -5.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -6.3893 -5.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -6.5039 -6.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0892 -5.3769 -6.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -5.4521 -7.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -4.5377 -8.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -3.2960 -8.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -2.0615 -8.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2506 3.6839 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5687 3.6829 -2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0116 2.2476 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 1.6594 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9358 2.0824 -2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 4.4552 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4434 4.7809 -0.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2366 3.4980 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 2.6863 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 0.8754 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9971 0.0537 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6679 1.1113 3.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1405 1.7030 3.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1725 3.9442 2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 4.7817 4.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 3.1865 5.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 1.8432 5.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 4.5342 6.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5975 3.1954 8.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 0.9251 8.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 0.7231 6.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2701 1.1585 7.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7516 -0.8443 6.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 -1.2335 6.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 -2.4573 6.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0955 -1.8142 4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4873 -1.8899 2.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -1.3702 4.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 -2.5361 3.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 0.5119 3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3487 -0.5808 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 -0.2401 2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7645 0.6542 3.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 1.8172 2.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 3.9580 2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 2.9317 3.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 2.8739 6.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 2.5430 5.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 0.7050 7.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 0.7001 6.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 -1.2013 5.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0998 -0.1738 4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -0.8313 5.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 -1.5665 4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0796 -0.2195 4.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 1.2219 5.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9844 1.3678 2.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 1.4899 2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0536 -0.8466 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -0.9015 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5008 -0.2104 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 1.1526 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 2.1663 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 0.8262 0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 2.7243 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 2.9166 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1369 2.4244 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3519 1.3451 -2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 0.5795 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 0.4260 -4.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 -1.2476 -2.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -1.2264 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 -1.7356 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1497 -1.8584 -4.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -3.5416 -1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6678 -4.0673 -3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8618 -4.8655 -2.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4721 -3.1901 -2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 -3.8002 -5.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8782 -4.4966 -4.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7113 -2.7352 -4.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 1.6616 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 3.1075 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 1.2667 -2.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 1.6008 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 -0.3012 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2348 -0.6542 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 -2.1609 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 -0.8241 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3416 -1.7882 -2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 -0.0801 -2.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -0.8924 -4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.3770 -4.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -3.0766 -4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -2.9893 -2.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -3.9683 -2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 -5.7148 -4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6341 -5.1861 -6.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2466 -4.2230 -6.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 -7.2845 -5.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -7.5124 -6.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -4.3820 -6.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 -5.5359 -5.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -6.3753 -7.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -4.6770 -9.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 -3.2994 -9.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -3.1696 -7.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -1.7340 -7.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -2.1999 -9.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -1.2327 -8.8440 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 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 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 67167 1 0 M END