HMDB0055039 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 161160 0 0 0 0 0 0 0 0999 V2000 3.4554 -8.9912 -4.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -9.1512 -4.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2819 -8.1796 -3.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5103 -7.2136 -4.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -7.0137 -5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -5.6730 -5.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 -4.7494 -6.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 -4.9662 -6.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -4.7345 -7.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -3.8311 -8.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 -2.9557 -7.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 -3.1999 -7.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8275 -2.2599 -7.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 -0.8529 -7.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 -0.0655 -6.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7815 -0.7048 -5.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3842 -0.0695 -4.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9383 -0.8260 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 -1.8460 -3.2442 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2451 -0.5079 -1.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 -1.3247 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 -0.6774 0.6131 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4336 0.6113 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1188 0.4632 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 -0.3554 0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3839 -1.2211 1.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 -0.2992 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -1.5623 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -1.3156 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -1.3516 1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -1.6672 2.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 -2.8519 2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -2.8930 3.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 -1.7290 4.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6184 -2.3756 5.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -2.3648 6.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9977 -1.7325 6.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3348 -0.7980 7.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 0.4697 7.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 1.1784 5.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 2.0746 6.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 3.3711 5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1743 4.1870 5.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8515 5.0631 4.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7031 5.9871 4.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 6.8545 3.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 6.0608 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -1.4740 1.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 -1.9655 2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8423 -1.6760 2.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2279 -2.7736 3.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7909 -2.5238 4.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 -1.0835 4.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 -0.7098 5.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 0.7040 5.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3554 1.5602 4.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 1.1761 3.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.4924 3.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 2.2938 3.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 2.9738 1.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 2.5363 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 3.3674 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 4.8144 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 5.4171 -1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 4.9318 -1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 5.5422 -2.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 7.0440 -2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 -9.0743 -3.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0397 -9.7632 -4.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 -7.9850 -4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 -9.1401 -5.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7501 -10.2057 -4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4714 -8.2868 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -6.5363 -3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -7.2570 -5.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 -7.7622 -6.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 -5.4971 -5.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 -3.7453 -6.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -4.2163 -5.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9533 -5.9263 -6.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -5.3333 -8.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 -3.6701 -9.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1812 -1.9177 -7.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -2.9979 -6.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3331 -4.2326 -7.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -2.4918 -7.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3875 -0.5978 -7.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7787 -0.4489 -8.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2548 -0.0724 -6.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8151 0.9724 -6.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1383 -1.7611 -5.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6595 -0.6550 -5.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0951 1.0036 -4.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4942 -0.0886 -4.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3322 -2.3025 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 -1.4691 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3003 -0.5236 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9533 1.3007 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5971 1.0651 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -0.3015 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 0.6180 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -1.7513 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -2.3836 0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -1.0834 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4677 -1.1515 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 -2.0125 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 -0.7949 3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 -3.6996 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 -3.8089 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -1.3945 4.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9491 -0.8951 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 -2.8265 6.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 -2.8688 7.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0992 -1.3840 5.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 -2.6039 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5251 -1.3022 8.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 1.0874 7.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 1.8354 5.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9987 0.5662 4.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 1.5871 6.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 3.9245 6.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 4.9621 6.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 3.7017 5.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 4.3696 3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7067 5.7087 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 5.4678 4.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 6.6755 5.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5116 7.5177 3.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 7.5577 3.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 5.4012 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 6.7267 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1096 5.4175 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3653 -3.8353 3.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8886 -2.5768 4.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6388 -3.1037 5.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -2.9490 3.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2922 -0.9155 5.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9965 -0.3895 3.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 -1.2875 6.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 -1.1262 4.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 1.0241 6.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 2.5914 5.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 1.7609 2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 0.1189 3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 0.9980 4.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 2.4691 3.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 2.7629 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 4.0688 2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 1.4819 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 2.9759 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 5.1082 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 5.2701 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 5.0770 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9269 6.5171 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 3.8286 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 5.3081 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 5.2263 -3.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 5.1241 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9143 7.4779 -3.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 7.2970 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 7.4172 -3.0587 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 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 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 1 0 45 46 1 0 46 47 1 0 22 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 2 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 1 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 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 47132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 64154 1 0 65155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 67160 1 0 67161 1 0 M END