HMDB0007450 RDKit 3D DG(20:3(5Z,8Z,11Z)/18:1(9Z)/0:0) 118117 0 0 0 0 0 0 0 0999 V2000 14.4719 0.6157 -2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4313 -0.4797 -2.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 -0.1159 -3.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6570 1.1823 -2.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 1.0467 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5161 2.2046 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 2.7816 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0893 1.9014 -1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 0.7648 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0976 -0.5114 -1.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8266 -1.0234 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6014 -1.8422 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -1.5937 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 -0.5059 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 0.4301 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 0.4873 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2055 -0.3838 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -1.3143 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -0.6240 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -0.1073 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 0.8071 0.9554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 -0.6575 1.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 -0.3712 2.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -0.7974 3.6849 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0774 -2.3093 3.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -2.8872 4.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -0.1588 3.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 0.5851 3.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5138 0.6638 5.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9805 1.2481 3.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 0.3350 3.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 -0.9669 2.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 -1.9384 3.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -1.4812 2.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4701 -1.1783 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9056 -0.7935 0.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -0.4761 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4464 0.6599 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8644 1.7623 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2583 2.1961 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3786 1.2694 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4971 0.0719 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6446 0.4416 -2.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7490 -0.7520 -3.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9217 -0.2769 -4.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7571 0.5855 -5.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4513 1.0982 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4646 0.1243 -2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2828 1.3865 -1.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0919 -0.7015 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8434 -1.4448 -2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4727 -0.9015 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5248 -0.0893 -4.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3946 2.0133 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8663 1.4244 -3.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1489 0.9139 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6949 0.0510 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3224 1.9668 0.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2761 3.0509 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4947 3.3502 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9801 3.6201 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6517 1.6438 -0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 2.6024 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4180 0.9917 -3.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2163 -1.2543 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7676 -0.2034 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 -1.6895 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5215 -2.7503 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7459 -2.3240 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 0.0419 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 -1.0422 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 1.2312 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 1.3274 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 -0.8256 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9145 0.3659 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 -2.0671 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 -1.9352 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 0.2303 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1389 -1.2728 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 -0.9682 3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 0.7266 3.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -0.5945 4.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1115 -2.4971 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -2.7980 3.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 -3.7272 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 1.2878 2.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 2.2476 3.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 0.1319 4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 0.8369 3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9721 -1.3986 3.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 -0.7161 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 -2.9286 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0274 -2.1040 4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -2.2597 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -0.5896 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8008 -0.3314 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1251 -2.0550 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4742 -1.7712 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3456 -0.1196 1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7245 -1.2539 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4875 0.7878 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2236 2.6622 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5729 1.6916 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4913 3.1675 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3083 2.5296 -1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3640 0.9007 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3525 1.8400 -0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7183 -0.6572 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4636 -0.4397 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8662 1.1440 -2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6323 0.9843 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8574 -1.4336 -3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6225 -1.3756 -3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 -1.1656 -5.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8702 0.3053 -4.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9161 1.6558 -4.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8047 0.2164 -4.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6813 0.6414 -6.2859 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 1 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 24 27 1 0 27 28 1 0 28 29 2 0 28 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 1 25 83 1 0 25 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 46118 1 0 M END