HMDB0042967 RDKit 3D TG(15:0/14:0/16:1(9Z)) 144143 0 0 0 0 0 0 0 0999 V2000 5.6766 0.9544 3.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 1.8555 3.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 3.2044 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 4.2310 3.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 3.7632 4.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4552 4.7686 4.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9311 5.0309 3.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 4.7962 3.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2964 4.2489 4.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 5.2100 4.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4705 4.6587 5.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 3.3442 4.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 2.8570 5.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7639 1.5762 5.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6377 1.4947 4.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0999 1.6905 2.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4997 2.6602 2.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1328 0.8539 2.3693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 1.1598 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 0.2126 0.4899 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4958 0.6394 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9206 1.8920 -1.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6378 2.2151 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 1.2866 -0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 3.5314 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 3.6107 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 2.6761 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7213 2.8994 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 1.9848 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 0.5376 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -0.2987 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8629 -0.0658 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8506 -0.9347 -1.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 -0.7082 -3.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 0.7065 -3.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2467 1.0120 -5.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 0.7853 -6.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -0.6125 -6.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -1.1205 0.4918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 -2.1196 1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -1.8102 1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9809 -3.5253 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8312 -4.0026 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2648 -5.3991 -0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 -6.4175 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9934 -6.3251 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 -6.5146 -1.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2143 -6.3877 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -6.5516 -3.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6347 -5.4870 -4.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -5.7106 -5.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -4.6800 -6.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 -4.7384 -6.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -3.6695 -7.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 1.5202 3.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 0.1351 4.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 0.4863 2.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 1.9111 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 1.3826 4.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 3.1477 4.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 3.5701 3.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4606 4.3805 2.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 5.1878 4.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2244 2.7752 4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 3.6304 5.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 5.7389 5.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 4.5476 5.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 5.4499 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 5.0246 2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 3.9358 4.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 3.3757 3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 6.2022 4.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 5.3522 3.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 5.4155 5.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 4.4583 6.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 2.5844 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6254 3.5807 3.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8435 3.6443 5.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 2.7614 6.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0541 0.6959 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 1.3894 6.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2507 0.5438 4.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4548 2.2806 4.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2425 2.1637 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 1.2736 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 0.2158 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 0.6650 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 -0.1943 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5758 4.3440 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 3.8528 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 4.6428 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 3.3988 0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.6338 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 3.0585 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 2.7074 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 3.9385 -0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8013 2.2287 -2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 2.2301 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 0.2935 0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 0.2422 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 -0.1640 -2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -1.3680 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 -0.3420 -0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2065 0.9670 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 -2.0093 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8664 -0.6139 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 -1.3785 -3.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -1.0463 -3.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 0.9447 -3.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3759 1.3577 -3.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5918 2.1039 -5.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1306 0.4712 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 1.4370 -5.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3002 1.1912 -7.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -1.3746 -5.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6248 -0.8594 -5.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 -0.7104 -7.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -4.1074 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 -3.4693 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 -3.3374 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -3.7725 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 -5.4873 -0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -5.5971 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6028 -6.1788 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -7.4091 -0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 -7.1450 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -5.3834 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 -7.5185 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 -5.7752 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -5.4663 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -7.2397 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -6.4713 -3.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 -7.5413 -3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 -5.6769 -4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -4.4878 -3.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -5.6256 -5.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -6.7043 -5.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -4.8692 -7.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 -3.6527 -6.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 -5.7504 -6.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 -4.4418 -5.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -3.7619 -8.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 -2.6851 -6.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1378 -3.7867 -7.4041 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 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 20 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 19 84 1 0 19 85 1 0 20 86 1 1 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 38117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 54144 1 0 M END