HMDB0049958 RDKit 3D TG(18:1(9Z)/20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 7.6786 1.4228 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4539 0.6628 1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 -0.7640 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0912 -1.7072 1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -1.5061 2.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.1820 2.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 -1.5816 2.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -0.1480 2.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 0.1636 3.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 0.8355 3.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 1.3942 1.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1039 2.8499 1.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 3.7117 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 3.3521 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8538 3.8519 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 4.7514 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 5.3646 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 5.0662 -2.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 5.7482 -3.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9237 5.3415 -4.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 6.0357 -5.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 5.5643 -5.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 6.0628 -6.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 4.5939 -4.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 4.0865 -4.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 3.0393 -3.8422 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0936 1.8432 -4.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 0.8416 -3.2738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 -0.3188 -3.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.4834 -4.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 -1.3233 -2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 -2.3826 -2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 -3.4464 -1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 -4.1311 -1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 -4.8118 -2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 -5.4978 -3.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 -6.1689 -4.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2205 -7.1155 -4.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -7.0495 -4.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -6.0747 -5.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -5.2763 -5.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 -6.2097 -5.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -5.4735 -4.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4439 -4.5737 -5.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8031 -5.4138 -6.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 -4.5500 -7.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6221 -3.8435 -7.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 2.4719 -3.7354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8376 2.2950 -2.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 2.6474 -1.5043 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 1.7614 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 0.6133 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0948 0.0501 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6564 -1.0666 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7297 -1.0851 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2778 0.0440 2.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3502 -0.4405 3.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3637 -0.3976 4.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3669 0.1201 5.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 0.7681 5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9595 0.2935 5.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -0.9399 6.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -0.4945 7.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5057 0.4718 8.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 0.9908 9.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 1.7207 8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 2.1895 10.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 2.9377 9.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2249 4.1408 9.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8254 1.2361 2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 1.1344 1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5337 2.5182 1.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 1.0986 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 0.8929 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -1.0588 0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 -2.7509 1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 -2.0782 3.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.5066 3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 -3.2905 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 -2.1997 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 0.3139 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 0.3950 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 -0.2027 4.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 1.0084 3.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.9717 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 1.0583 1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 3.1925 2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 4.7900 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 3.7412 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 2.2237 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 3.4661 1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 5.0790 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 5.3031 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 6.4982 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 3.9708 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 5.5104 -2.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 5.4916 -4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 6.8698 -3.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 4.2598 -4.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 5.6121 -3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 5.7185 -6.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 7.1187 -5.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9691 3.6549 -5.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 4.9155 -4.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 3.3320 -2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0652 2.1973 -4.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 1.4944 -5.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8081 -1.6921 -2.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 -0.7670 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2169 -1.8920 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -2.8284 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 -4.2219 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -3.0244 -0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 -3.4710 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -4.9309 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 -5.5584 -2.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 -4.0554 -3.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 -4.7973 -3.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -6.2960 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -5.3315 -5.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -6.6791 -4.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -7.9204 -3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -7.8294 -4.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7378 -6.5806 -6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 -5.4057 -6.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -4.7391 -4.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 -4.5700 -6.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 -6.8760 -5.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -6.8458 -4.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -6.2012 -4.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6254 -4.8306 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.7897 -5.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -4.0693 -5.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 -5.9329 -7.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5785 -6.1749 -6.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -3.7787 -8.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 -5.1939 -8.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1853 -3.5634 -8.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -4.5660 -6.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 -2.9482 -6.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7553 2.4848 -1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7097 1.4023 -2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1205 0.9582 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3463 -0.2248 -1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7129 0.8014 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6610 -0.4310 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2343 -1.9467 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3719 -1.9825 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5038 0.6725 2.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 0.7158 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2524 -0.8954 2.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2809 -0.8183 5.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 -0.7018 6.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9427 0.8666 6.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1724 1.7600 4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 0.8878 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4143 -1.4966 6.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9298 -1.6014 5.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -1.3668 7.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 0.0840 6.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8623 1.3063 7.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 -0.0825 8.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3901 1.6560 9.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4717 0.1429 10.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 1.0156 8.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 2.5724 8.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5249 1.3259 10.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 2.8462 10.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 3.1656 10.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 2.2433 9.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 3.8493 7.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 4.6561 9.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 4.8659 9.0296 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END