HMDB0047811 RDKit 3D TG(14:1(9Z)/18:0/20:4(8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -2.3675 6.7024 -8.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 6.0568 -7.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 6.9810 -7.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 7.4999 -6.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 7.3096 -4.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 6.7333 -3.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 6.2160 -3.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 6.1121 -5.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 6.9556 -4.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 6.4780 -4.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 5.0867 -5.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 4.4726 -3.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 3.4081 -3.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 2.6455 -3.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 2.7358 -2.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 2.0296 -2.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 2.2396 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 1.9443 -5.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 0.5685 -5.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0811 -0.0826 -5.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 0.0104 -5.8126 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 -0.7997 -3.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 -1.4590 -3.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0229 -1.9570 -2.0088 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2490 -2.2891 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -2.3631 0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 -3.2767 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 -4.2462 0.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 -3.1267 2.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 -1.6487 2.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 -1.1204 3.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 -1.6225 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 -1.4510 3.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 -0.0786 3.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4651 0.9340 4.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 2.2388 3.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 2.9143 3.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1042 2.5447 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 3.6472 5.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 3.3312 6.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5498 2.0470 6.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -2.8599 -2.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7418 -2.5056 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 -1.3344 -0.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 -3.3483 -1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -3.9151 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 -4.7236 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1224 -5.2859 1.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 -6.0924 1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 -5.2584 1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8073 -4.1179 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 -4.5722 3.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1788 -3.3244 4.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4536 -3.5280 5.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6265 -4.2886 6.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9929 -3.8463 5.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -3.8709 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7743 -3.3955 4.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9894 -1.9996 4.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1178 -0.9929 4.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4323 0.3828 4.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 6.2025 -8.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 6.8125 -9.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 7.7433 -7.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 5.1109 -7.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 5.7986 -6.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 7.2560 -8.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 8.2104 -6.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 6.7021 -4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 8.3275 -4.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 6.7042 -2.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 5.8164 -2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 5.0313 -5.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 6.3481 -5.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 8.0334 -4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0232 7.1797 -4.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8545 4.4506 -5.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 5.1928 -5.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 5.0006 -3.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 3.0707 -2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 2.9420 -4.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 1.5601 -3.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 3.8071 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2477 2.3163 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 0.9442 -2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 2.4084 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4666 1.6320 -3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 3.3011 -3.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5414 2.2274 -5.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 2.6310 -5.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 0.5478 -6.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 -0.1444 -5.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 -0.8392 -3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 -2.3638 -4.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -0.9664 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 -1.4674 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -3.2051 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8828 -3.5319 2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0931 -3.6451 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -1.3409 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -1.1884 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 -0.0048 3.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -1.4267 4.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 -1.0425 5.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 -2.6821 4.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9725 -2.2227 2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.7450 4.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 0.2988 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2369 -0.1442 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 0.6583 4.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.9869 4.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 2.6320 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 3.8825 3.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1162 1.5417 4.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 2.5701 3.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5422 4.5941 4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 3.8237 6.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5111 3.3208 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8649 4.1689 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8607 2.1850 8.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 1.6493 6.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2939 1.3312 6.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6133 -4.1997 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 -2.7388 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -4.7179 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 -3.1927 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -4.1225 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 -5.5491 -0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -6.0139 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -4.5271 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 -6.9103 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 -6.5613 2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 -4.9222 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5031 -5.9354 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -3.3698 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7455 -3.5936 1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 -5.1460 3.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8971 -5.2389 3.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 -2.5250 3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0734 -2.9096 4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -3.9022 6.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -2.4801 6.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6081 -4.2486 7.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5203 -5.4031 6.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2581 -2.8520 6.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7640 -4.5356 6.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3137 -4.9480 4.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7457 -3.2503 3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0188 -3.4056 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4621 -4.0558 4.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9376 -1.8471 5.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0478 -1.7340 4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -1.0228 2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0398 -1.1642 4.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5307 0.5766 4.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0144 1.1759 3.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9057 0.5203 5.5240 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 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 2 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 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END