HMDB0042647 RDKit 3D TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -2.9374 -0.8367 3.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.9497 3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.0994 4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -3.3638 4.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 -4.4861 5.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5519 -4.7768 5.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 -5.9499 5.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 -7.0279 4.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 -8.1772 5.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -9.3978 5.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 -10.0331 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0316 -9.3561 3.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -9.5256 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -10.3674 1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 -9.8413 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3005 -8.6368 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4951 -7.4663 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 -6.9890 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 -6.5698 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3741 -5.3553 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -5.4761 -0.8673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 -4.1485 -1.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -2.9290 -1.7864 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1006 -2.3635 -3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 -2.2973 -4.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -1.7437 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 -1.2898 -5.3553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.6761 -6.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -1.0688 -7.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 0.3870 -7.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 1.1609 -7.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 2.5596 -7.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 3.5125 -7.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8128 3.4453 -6.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 2.2396 -6.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6557 1.6823 -4.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 2.2456 -3.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 1.2806 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 1.5711 -2.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 2.8984 -3.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 3.4300 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 4.7797 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 5.1929 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 6.5633 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -1.9179 -0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 -1.5541 -0.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 -0.4800 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 0.0765 0.6218 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 0.0066 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 1.3330 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 1.5027 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 2.9189 2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6841 3.2855 2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7989 4.7370 2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2484 5.2117 2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 6.6695 3.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 7.1092 3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9317 8.5412 3.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2364 9.5129 2.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7994 9.3781 1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 10.3458 0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -1.2801 4.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 0.2254 3.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1151 -1.4325 2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1407 -0.0351 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -1.1462 3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 -1.8929 5.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 -2.1906 5.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -3.5689 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 -3.2254 3.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 -4.0066 6.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -5.3207 4.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0693 -3.9618 6.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -6.0899 6.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5191 -6.6984 4.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 -7.3113 4.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -7.9323 6.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 -10.1069 6.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1836 -11.0135 4.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -10.5816 5.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 -8.6631 3.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -8.9810 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 -10.8820 2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 -11.2638 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 -10.6122 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 -8.4325 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -6.6092 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -7.4935 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -7.8883 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 -6.2423 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -6.3768 -2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -7.3798 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 -3.2131 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -3.0217 -3.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 -1.3859 -2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 -2.7468 -6.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 -1.1793 -6.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 -1.5876 -7.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1278 -1.2901 -8.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2835 0.7881 -6.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 0.6707 -8.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 0.8218 -8.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 0.7259 -7.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 2.8251 -8.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 4.5301 -7.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 4.2341 -6.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 3.9435 -5.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 1.7084 -6.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 0.7388 -4.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 3.2358 -3.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9237 2.2486 -2.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 0.2412 -2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 0.7874 -2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1138 3.6429 -3.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 2.7992 -3.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 3.3534 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 2.7092 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 4.7097 -2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 5.5329 -2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 5.1099 0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1502 4.4824 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9043 6.9665 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 7.2692 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 6.5373 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1978 -2.2222 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.9680 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5609 0.0088 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -0.7356 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 1.5574 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 2.1798 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 0.7818 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8634 1.3340 2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7098 3.6307 1.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 3.0919 3.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2964 2.6300 3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 3.2820 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 4.8482 3.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 5.4088 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 5.0960 1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 4.6382 3.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 6.7066 4.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 7.3192 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 6.9345 2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 6.4958 4.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 8.7810 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6194 8.7165 4.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 9.3698 2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 10.5432 3.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8791 9.6607 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7039 8.3397 1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4805 11.3863 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 10.2629 0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 10.0643 -0.5925 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 2 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 26 28 1 0 28 29 1 0 29 30 1 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 1 0 42 43 1 0 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 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 1 24 94 1 0 24 95 1 0 28 96 1 0 28 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 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M END