HMDB0055832 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -6.5830 0.9272 12.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6101 0.1966 11.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8004 1.1055 10.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7817 1.1742 9.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6595 0.2564 8.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 -0.5756 7.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -0.6570 6.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.1445 5.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3994 -0.7548 4.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3362 -0.7014 3.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4864 0.2205 2.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3114 1.0739 1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3838 2.3644 1.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5969 3.1884 2.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 4.0538 1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 3.9957 1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 3.0998 2.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 2.1870 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 2.0753 2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 2.7939 3.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 3.5088 2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 4.4649 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 4.3716 1.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 5.4254 0.8822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 6.3229 -0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2323 5.8473 -1.4641 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4709 4.5570 -1.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1468 3.4502 -1.2622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 2.1066 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1844 1.8612 -2.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 1.1244 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 -0.3159 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2622 -1.1550 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 -2.6312 -0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 -3.2574 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -4.6968 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9124 -5.5802 1.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -5.1937 2.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -5.6203 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 -6.3442 2.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 -6.9569 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2206 -8.4444 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -9.1619 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 -8.7186 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -9.5336 -1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 -9.1095 -2.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 -7.6890 -3.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -7.3331 -4.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 -6.4095 -4.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 -5.6168 -3.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 -4.1571 -3.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 5.5833 -2.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 6.2394 -3.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0027 7.0579 -3.7258 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 6.0274 -4.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 4.6447 -4.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 4.6776 -5.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4029 3.3461 -6.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2259 2.3048 -5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 0.9475 -5.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 0.0680 -6.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 -0.3358 -6.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 0.8042 -6.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3273 0.4177 -6.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 0.9692 -5.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8894 2.0568 -4.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 1.7286 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 0.5699 -2.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 0.2627 -1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6047 1.4721 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 1.2560 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9905 1.8187 11.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0625 1.2504 13.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3961 0.2401 12.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9312 -0.4278 12.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2005 -0.5191 10.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1341 1.8104 11.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1621 1.8680 8.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3128 -0.3306 9.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3112 0.9387 7.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 -1.2167 8.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 -1.3146 5.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9164 0.8321 4.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3052 0.6850 6.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 -1.4725 5.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9548 -1.3894 2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 -0.4716 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6779 0.7231 3.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9336 0.5386 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0305 2.8814 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 2.6424 3.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3871 3.9076 3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 4.7591 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7883 4.6691 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 2.5609 3.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 3.8203 3.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 1.5556 1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0509 1.3249 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 3.5416 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7964 2.0086 3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 2.7829 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 4.0356 3.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2501 6.6799 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 7.3000 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 6.6044 -2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 4.5378 -2.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5314 4.6313 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6808 1.2901 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 1.2672 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 -0.4863 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 -0.5105 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0904 -0.9313 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 -0.8506 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 -2.9271 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2008 -3.0886 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -2.8070 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 -2.8935 1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -5.1107 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 -6.6374 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0106 -5.6344 3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 -4.0887 2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -5.2404 3.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -6.5710 2.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6131 -6.6005 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -6.7127 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -8.8407 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 -10.2633 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 -7.6681 -0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6036 -9.1016 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3728 -10.6243 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -9.8468 -3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -7.0092 -2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 -7.6372 -3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -7.9106 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 -6.1512 -5.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2866 -5.8993 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 -5.6362 -2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -3.5320 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -3.9085 -4.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 -3.9108 -3.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 5.9223 -3.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 6.7718 -4.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9704 3.9117 -3.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 4.5609 -5.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7829 4.9518 -4.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 5.4852 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 3.1648 -6.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 3.4991 -6.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 2.6854 -4.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 2.3761 -4.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 0.3627 -4.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7661 1.0355 -5.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3846 0.4434 -7.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.9058 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 -0.9004 -5.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2377 -1.0919 -7.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 1.1032 -7.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 1.6968 -5.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 -0.3958 -6.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 0.5984 -5.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4595 2.9851 -4.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 2.3915 -4.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3065 1.4880 -3.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 2.6735 -2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.8809 -2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -0.3076 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 -0.5801 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9085 -0.0494 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5636 1.7911 -0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 2.3153 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 0.8300 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 2.2533 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2863 0.5699 1.6736 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 2 0 65 66 1 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 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 51140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 68165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 70170 1 0 71171 1 0 71172 1 0 71173 1 0 M END