HMDB0048808 RDKit 3D TG(16:1(9Z)/20:2n6/O-18:0) 168167 0 0 0 0 0 0 0 0999 V2000 2.2431 -5.5349 -9.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 -5.9479 -8.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 -6.1894 -6.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -4.9587 -6.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 -5.1499 -5.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -3.8968 -4.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 -3.2254 -3.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 -3.6117 -2.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 -2.5681 -2.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -1.8447 -1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -1.9483 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.5849 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.5226 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 0.4608 1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 1.5995 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 1.5992 2.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 2.6675 2.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 2.7248 3.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 3.6987 3.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 3.1971 2.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6987 2.1276 1.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1477 3.7982 2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0128 3.2081 1.0742 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2824 4.2090 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1541 3.8477 -0.9392 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1533 2.9100 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3143 2.9335 -3.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8647 2.9932 -3.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 1.9095 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 2.0377 -2.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9878 3.2706 -1.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 3.0940 -2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 4.2890 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 3.9377 -2.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 5.0299 -1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 6.3170 -2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 6.1459 -3.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 5.6808 -4.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5726 5.4947 -5.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 4.4940 -6.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8654 3.1026 -5.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 2.5326 -5.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 1.1209 -5.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3691 2.9368 1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3567 2.1836 2.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8501 0.9090 2.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3831 0.4506 1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 0.1393 4.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1195 -1.1686 4.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 -1.0514 3.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9986 -2.4225 3.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -2.2448 3.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 -3.5261 3.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6921 -4.2263 4.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 -3.3432 5.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1112 -3.6535 6.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 -4.8940 5.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 -5.5629 7.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -5.8928 7.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 -6.5540 9.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 -5.6237 10.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -6.3228 11.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 -4.5724 -9.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5242 -5.3001 -10.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 -6.3097 -9.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 -6.8185 -8.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7005 -5.1102 -7.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 -6.5869 -6.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -6.9556 -7.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 -4.5561 -7.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1948 -4.1611 -6.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 -5.6334 -4.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 -5.8860 -5.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2104 -3.5517 -5.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -2.2881 -3.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 -3.6631 -1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -4.6296 -2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -2.3677 -3.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -1.0637 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -2.0641 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 -2.7050 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 -0.6194 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 -0.4301 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 1.4732 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 0.7108 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 -0.4864 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 0.6207 2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 1.5117 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 2.5579 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 1.8702 3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 0.6323 2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 3.6424 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 2.6147 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 3.0372 4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 1.6926 3.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 3.8329 4.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5507 4.6819 3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5387 2.3439 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 4.5684 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 5.1184 0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0718 1.8465 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2348 2.8524 -2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6579 2.0605 -3.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6777 3.8164 -3.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 4.0172 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 2.9841 -4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 0.9542 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3545 1.7183 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1885 1.1765 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3044 1.8456 -3.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 4.1952 -2.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0757 3.3898 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 2.1309 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 3.1914 -3.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0864 5.1484 -2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1383 4.5049 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 3.6084 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 3.0631 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 4.6414 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 5.2877 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4915 6.6444 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 7.0927 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 7.1460 -4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 5.4634 -4.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9166 6.4809 -3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4461 4.7115 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 5.2350 -5.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 6.4783 -6.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 4.4499 -7.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 4.7367 -6.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 2.9727 -4.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 2.4548 -6.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 2.4167 -6.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9399 3.0830 -5.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8299 0.4109 -5.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 0.7144 -5.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 1.1182 -4.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7695 3.9439 1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0566 2.5255 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2787 0.7289 4.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8511 0.0019 4.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2358 -1.7118 5.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6569 -1.7594 3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5268 -0.6228 2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 -0.4222 4.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 -2.9090 4.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 -3.0865 2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -1.7952 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -1.5440 3.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -3.3123 2.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -4.2755 2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1842 -5.1593 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 -4.4748 4.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4277 -2.3418 5.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5423 -2.9052 6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 -4.6728 5.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 -5.5993 5.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -4.8437 7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -6.4524 7.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -6.5961 7.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -4.9847 7.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -6.8371 9.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 -7.4711 9.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 -5.4495 9.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -4.6496 10.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 -5.5708 12.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4086 -7.0962 11.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -6.7351 11.9110 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 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 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 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 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 2 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 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 6 24 99 1 0 24100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 62168 1 0 M END