HMDB0009357 RDKit 3D PE(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 129128 0 0 0 0 0 0 0 0999 V2000 14.6369 -3.2144 -1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6146 -4.6932 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 -5.3465 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1895 -5.3797 -0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3668 -4.2811 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0126 -3.3310 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1217 -2.0415 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6046 -1.1615 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8699 -1.6447 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 -1.3181 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7575 -0.4982 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 0.1247 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0923 1.4025 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7466 2.4213 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 3.3344 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3888 2.6949 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 2.0231 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 1.4990 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 0.4730 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 0.0957 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 -0.7400 2.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 0.6550 0.8811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 0.3025 1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 1.0623 0.6963 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0146 2.4962 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 3.3418 1.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 4.9209 0.9327 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6719 5.2996 1.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4791 4.9787 -0.7447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 5.9616 1.5117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8869 5.9956 0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 6.9148 1.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0842 7.0052 0.2211 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 0.9743 1.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 0.4639 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6877 -0.0006 -0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 0.4870 1.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 0.0301 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5385 0.0313 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7782 1.3862 1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9387 1.8565 2.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2914 1.7815 1.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1289 0.6150 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9054 -0.5197 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6866 -0.8802 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8435 -0.0912 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1893 -0.5947 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6128 -1.7553 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8777 -2.8750 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0378 -4.1957 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7360 -4.5830 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4397 -4.0442 -2.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2991 -2.6249 -3.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7580 -2.8918 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5244 -2.8162 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7655 -2.7591 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4508 -4.9786 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0062 -5.1261 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0787 -5.0426 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6489 -6.4545 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 -6.1905 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5044 -6.0533 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6154 -3.8964 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6112 -4.8379 0.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5116 -3.8117 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6896 -1.5485 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6263 -0.8094 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3368 -0.1470 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -2.3069 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1450 -1.7456 -2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 0.1945 -1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8451 -1.1853 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3574 -0.5038 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3721 1.8135 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7019 3.0541 -0.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4435 2.1027 -1.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4252 4.0397 -0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 4.0319 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 1.9294 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6934 3.4446 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4241 2.7873 -1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1619 1.1925 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 1.0259 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 2.3432 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 -0.4283 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 0.9158 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 -0.8006 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 0.4574 2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 0.5812 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 2.8797 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 2.4542 -0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 5.3134 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 4.9813 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4938 6.4351 -0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5183 7.9340 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 6.5648 2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7339 7.3969 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 6.0682 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0253 -0.0912 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 1.5779 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9885 -1.0040 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 0.7170 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5004 -0.7600 1.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2031 -0.2867 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9005 1.5830 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4694 2.1461 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7585 2.9802 2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8701 1.4144 3.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9006 2.5656 2.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2634 2.3455 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1985 0.1640 2.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2134 0.9921 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0885 -1.2239 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3777 -1.7841 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6579 0.1788 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8096 0.9562 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0118 0.1219 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7335 -1.8634 -0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7838 -2.6935 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2444 -3.0624 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5511 -4.9928 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1498 -4.5526 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9004 -5.7444 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5820 -4.4909 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2177 -4.6592 -3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5721 -4.2712 -2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3868 -2.1633 -2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1522 -2.5093 -4.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1697 -2.0112 -2.8795 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 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 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 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 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 M END