HMDB0008477 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -2.9047 2.0514 7.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 3.3791 7.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 4.0349 5.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 4.3493 5.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6454 4.0905 5.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9658 3.2228 3.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4923 2.0402 4.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8347 1.4050 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3135 0.1935 5.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3957 -0.5986 5.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6297 -0.3549 4.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -1.4939 3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0652 -2.3427 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -2.2908 3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 -2.0402 2.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -2.9464 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 -3.0918 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1422 -1.8635 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 -1.2081 -1.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 -0.7789 -1.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0599 -1.4099 -1.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 0.1822 -0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.5775 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 1.2883 -1.1335 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6315 2.6057 -1.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 2.3191 -1.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 3.7657 -1.9223 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8564 3.4286 -2.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 4.8782 -2.9328 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.6938 4.3739 -0.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 5.7224 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 6.3435 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 5.8211 1.9812 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.7730 6.6520 3.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 4.4752 2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 5.9013 1.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5145 0.5373 -2.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 0.1467 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 0.4848 -2.3878 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -0.6801 -4.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1286 -0.9651 -4.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 -1.7816 -5.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3823 -2.1229 -6.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5031 -2.8423 -5.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 -2.0872 -4.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3723 -2.7539 -4.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 -3.0155 -2.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 -2.7212 -1.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2738 -3.8873 -0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2645 -4.5852 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 -4.4213 -1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 -5.7275 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 -5.9316 -2.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 -4.9650 -3.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 -4.8377 -4.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.1842 -5.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 -5.7251 -6.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -4.8629 -7.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9256 2.1995 7.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 1.2387 7.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6646 1.7418 6.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7273 3.0879 7.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3012 3.9741 8.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 4.2701 5.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 4.8408 4.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0151 3.8259 6.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1151 5.1150 4.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 3.6459 2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7273 1.5214 3.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9275 2.1370 6.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9939 1.1866 5.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7997 -0.1418 6.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1388 -1.5421 6.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5287 -0.4074 4.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 0.5456 3.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 -1.6488 2.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -3.1499 2.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 -3.3920 3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 -1.7508 4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -0.9548 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -2.0546 2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -2.8077 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -3.9971 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4896 -3.7585 0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2088 -3.7217 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -2.1708 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 -1.0835 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -1.8660 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 -0.2928 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3651 -0.2877 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 1.2650 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 1.5503 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 3.1085 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 3.2476 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 6.0106 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 6.1900 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 6.1706 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 7.4302 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7881 7.0978 3.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 6.0223 4.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 7.4432 3.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 3.7145 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 4.3921 2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 4.2404 3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 5.9373 2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1077 4.9597 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9888 6.8071 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -1.6752 -3.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1239 -0.1358 -4.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6316 -0.0036 -4.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -1.5681 -3.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -1.1797 -6.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -2.6899 -5.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -1.1199 -6.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -2.6214 -7.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2226 -3.2641 -6.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0564 -3.7915 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5531 -1.5982 -4.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 -1.1754 -5.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1932 -3.0413 -4.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 -3.5226 -2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9755 -1.9170 -1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5778 -2.3314 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2621 -4.2388 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 -5.4631 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7181 -3.6124 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -4.1613 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 -6.5933 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 -6.9629 -3.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3163 -5.2692 -4.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 -3.9243 -3.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5767 -4.4557 -3.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7599 -5.0789 -5.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -5.9814 -6.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 -6.6912 -6.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 -5.5187 -8.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -4.2438 -7.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 -4.2062 -7.8664 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 34 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 36107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 29 -1 33 1 M END