HMDB0043526 RDKit 3D TG(15:0/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) 156155 0 0 0 0 0 0 0 0999 V2000 5.9563 6.4333 -9.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 5.8470 -8.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 4.3213 -8.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 3.7605 -7.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 2.2352 -7.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 1.8078 -5.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.0387 -5.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 0.5252 -6.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 -0.9350 -6.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1319 -1.6922 -6.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -1.1644 -6.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -1.6081 -7.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -2.3809 -7.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6985 -3.0348 -6.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -2.9929 -4.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 -2.4750 -3.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -1.8685 -3.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.5955 -3.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1866 -2.6929 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 -1.3909 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 -0.2994 -1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1367 -1.3443 0.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 -0.0594 1.0428 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2639 0.1166 2.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -0.0888 2.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.5389 1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3122 1.4433 0.5931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 0.1144 1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8405 0.2685 2.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 1.6096 3.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 2.6418 3.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 3.0253 1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 4.2102 1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 5.4142 2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 6.4735 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 7.0375 3.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 6.7310 4.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 8.0264 5.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 8.2245 5.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 7.2015 5.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 7.0792 6.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 6.0514 6.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 5.9501 8.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 4.9427 8.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -0.0375 1.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5286 -1.0430 2.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5031 -1.4287 3.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6012 -0.8502 3.5752 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -2.5218 4.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -3.1744 4.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -3.8716 2.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -4.4376 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -5.4240 3.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 -5.8874 3.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -6.5703 1.9423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 -7.0465 1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 -5.8702 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 -6.3451 0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -5.1984 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -4.2350 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6099 -3.1308 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 -2.1611 -1.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 7.2240 -10.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 5.6637 -10.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 6.9156 -9.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1494 6.3018 -7.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 6.1499 -8.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 3.9597 -9.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 4.1160 -8.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 4.0795 -6.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9535 4.1733 -6.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 2.0605 -7.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9122 1.7750 -7.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 2.1678 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 0.7726 -4.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 0.8506 -7.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 0.9739 -6.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 -1.4059 -6.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 -2.7881 -6.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 -1.5538 -5.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -0.0523 -6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 -1.2263 -8.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6155 -2.5889 -8.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 -4.1947 -6.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 -2.9928 -6.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -3.4661 -4.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -2.5108 -2.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.8102 -4.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 -0.7673 -3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 -3.6131 -3.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3144 -2.0582 -3.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2620 -3.2699 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0199 -3.3458 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2051 0.7255 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 1.1689 2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6697 -0.5918 3.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 -1.0027 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 0.5396 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.4773 3.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 -0.1276 3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8682 1.4887 4.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 2.0204 3.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 2.2849 3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5453 3.5645 3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 2.2913 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 4.4058 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 5.2330 2.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 5.8283 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 6.7880 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 7.8203 2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2903 6.4423 5.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 5.9138 4.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 8.8851 5.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 9.2514 5.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1487 6.2086 5.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 7.6330 4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 8.0914 7.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 6.7532 7.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 6.3956 6.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6894 5.0831 6.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 6.9591 8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 5.6677 9.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9784 5.0238 9.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4214 5.2018 7.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 3.9181 8.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3775 -0.1721 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6302 0.9757 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0278 -3.2752 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 -2.0829 5.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7575 -3.9611 5.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -2.4785 4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 -3.2078 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6106 -4.7274 2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6239 -4.9607 1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7704 -3.6044 2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -6.3219 3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9032 -5.0194 4.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 -6.5292 4.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -4.9310 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9531 -5.8037 1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 -7.4041 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -7.6235 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -7.7872 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 -5.3836 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3147 -5.2078 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 -6.9796 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -6.9520 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -4.6346 1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0051 -5.6372 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -4.7639 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 -3.7792 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7444 -2.5899 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -3.5180 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -1.4968 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -1.5738 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -2.7425 -2.2807 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 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 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 62154 1 0 62155 1 0 62156 1 0 M END