HMDB0044314 RDKit 3D TG(16:0/20:2n6/20:1(11Z)) 173172 0 0 0 0 0 0 0 0999 V2000 11.7185 1.6088 6.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9104 2.0343 5.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 3.2559 4.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3939 4.4336 5.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5043 5.5952 5.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 6.7949 5.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8058 7.4023 6.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3991 6.9544 6.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 8.0037 6.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 7.8493 5.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6096 6.6361 4.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 6.0473 4.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3053 4.8185 3.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0995 4.0499 3.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 3.5217 4.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 2.6970 3.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 2.0868 4.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 3.0589 5.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5985 2.2294 6.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 1.3900 5.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 0.2270 5.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 1.8811 4.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 1.1581 3.2759 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7755 0.9900 1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 0.1890 2.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.0053 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.6335 0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 -0.8681 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -0.8472 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 0.3862 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 0.1093 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.1466 -2.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 1.5728 -3.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 1.7035 -3.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 1.1679 -3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 1.2043 -4.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 0.8026 -3.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 -0.2165 -3.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -1.2128 -4.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0427 -2.6178 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1364 -2.9843 -2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9084 -4.3684 -2.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8863 -5.4292 -3.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -6.7525 -2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6426 -7.9191 -3.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 -9.2241 -2.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 1.6955 2.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5487 0.7983 2.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 1.0020 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4563 2.0129 1.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4885 0.0540 0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8843 0.5024 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7362 -0.3413 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3157 -0.5665 -1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3077 -1.4560 -2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 -1.7483 -4.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7782 -2.4530 -4.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5917 -2.7152 -5.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 -3.4256 -6.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9506 -3.6991 -7.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6035 -4.3612 -7.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 -4.6461 -8.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8351 -5.2864 -9.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -6.6163 -8.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -7.6472 -8.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5060 2.0801 7.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7100 0.4981 6.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7106 1.9544 6.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4799 1.2005 4.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9486 2.1727 4.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 3.5623 3.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0069 2.9248 4.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3295 4.2299 6.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4589 4.6950 5.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4890 5.2568 5.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8733 5.8357 4.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7855 7.1840 5.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0402 8.3057 7.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1894 6.8760 7.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 5.9781 6.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 8.9792 6.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 8.7170 4.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3034 5.8399 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8597 6.9423 3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 6.7952 3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 5.8030 5.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 5.1698 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 4.1193 3.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 4.6496 2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 3.1245 2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 4.3014 4.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 2.8398 4.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6434 1.8579 3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 3.3206 2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 1.4830 5.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 1.3647 4.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0121 3.6393 6.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 3.7362 4.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 2.8728 6.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0638 1.5692 7.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 0.1185 3.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 0.4349 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 1.9894 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -1.9375 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -0.6206 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 -1.2140 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0949 -1.6539 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 0.4259 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 1.3076 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1295 -0.9278 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 0.8891 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8912 -0.5756 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2425 -0.1187 -3.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 2.1390 -3.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0131 2.1381 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 2.7537 -4.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2347 1.1846 -4.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 1.8251 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 0.1650 -2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 2.2667 -4.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 0.6297 -5.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 1.5012 -2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1017 -0.3363 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 -1.0315 -5.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 -1.1045 -4.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 -3.3070 -4.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1025 -2.5592 -3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1474 -2.9705 -3.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0124 -2.2742 -1.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 -4.4508 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -4.5934 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 -5.4683 -3.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 -5.2535 -4.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7665 -6.7516 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5490 -6.8473 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 -7.9748 -4.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 -7.7973 -4.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 -9.8695 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -9.8078 -3.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 -9.0599 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5566 1.7509 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 2.7122 2.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5326 -0.9788 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9032 -0.0434 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3669 0.5701 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9535 1.5466 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 -1.2912 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7482 0.1709 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 -1.1221 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2674 0.4039 -2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -0.9791 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3887 -2.4045 -2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8874 -2.4075 -4.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1660 -0.8103 -4.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9645 -1.7066 -4.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6976 -3.3773 -3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6317 -1.8062 -6.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -3.4465 -6.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4102 -2.9200 -5.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3369 -4.4246 -5.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6973 -4.3058 -7.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8437 -2.7115 -7.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 -5.3401 -6.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7993 -3.7288 -7.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1346 -3.7087 -9.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9106 -5.3417 -9.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -5.4446 -10.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 -4.6440 -8.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -6.9823 -8.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 -6.5867 -7.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3792 -8.6360 -8.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 -7.4196 -8.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -7.6982 -10.0922 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 2 0 26 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 2 0 38 39 1 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 23 47 1 0 47 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 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 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 1 24102 1 0 24103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 46138 1 0 46139 1 0 46140 1 0 47141 1 0 47142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END