HMDB0285420 RDKit 3D PE(P-18:1(11Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) 132131 0 0 0 0 0 0 0 0999 V2000 -3.2759 -0.4608 6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.5404 7.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -2.9428 7.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 -3.3713 6.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 -4.8799 5.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -5.3803 5.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0477 -6.0499 3.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 -6.5077 3.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -6.1066 1.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -5.5697 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -5.1614 1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -5.2211 3.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4006 -4.2221 3.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -2.8723 3.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 -1.8393 4.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 -2.2773 3.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -0.4938 3.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0297 0.3496 3.7238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.1106 3.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 1.4132 3.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 1.5544 1.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 1.4052 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 1.3310 -0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 1.3316 0.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 1.2069 -0.1823 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5355 2.2225 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 2.1490 -1.3385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 2.3647 -2.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 3.0929 -2.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 3.3230 -3.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5366 2.7412 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 2.9158 -4.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 2.2345 -4.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 2.3480 -5.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 1.6458 -5.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 0.1809 -4.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0371 -0.5133 -4.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 -0.3401 -5.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3406 0.2142 -4.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 0.7198 -3.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8646 2.1930 -3.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 2.5914 -4.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2913 4.0928 -3.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 4.6062 -4.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6973 6.1067 -4.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -0.2128 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 -0.3631 -1.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 -1.9305 -1.2868 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4597 -2.1769 -0.0939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3437 -3.0899 -1.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4774 -2.0803 -2.6957 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8292 -2.2598 -2.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6125 -2.4004 -3.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5213 -1.2735 -4.5734 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2204 -0.1685 6.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -0.7335 5.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7496 0.4704 7.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -1.3362 8.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -1.3910 8.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2691 -3.1689 6.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 -3.6080 8.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5603 -2.7959 5.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -3.3698 6.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -5.4153 6.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 -5.0146 5.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2652 -5.1237 5.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0114 -6.3232 3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9956 -6.0908 3.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8324 -7.6305 3.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5386 -6.3325 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7568 -5.3716 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -5.6552 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -4.0782 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -6.1955 3.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0917 -4.4062 4.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -2.5443 3.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 -2.6881 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9648 -1.7373 5.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -1.5752 3.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0646 -0.7422 2.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 1.0466 4.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -0.6014 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 0.1390 4.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 1.8337 3.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 2.1523 3.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 2.5700 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 0.8528 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 1.2678 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 2.0691 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 3.2268 -0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1001 1.9146 -3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 3.5549 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4823 2.8440 -4.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 4.4157 -4.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 1.6517 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 3.2864 -2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 3.9783 -5.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 2.4812 -5.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 2.6073 -3.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 1.1425 -4.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 1.9079 -6.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 3.4176 -5.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 1.8316 -5.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2067 2.0803 -4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4656 -0.3117 -5.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 0.0114 -4.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 -1.6142 -4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 -0.2102 -3.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0869 -0.7118 -6.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 0.2890 -5.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5038 0.2144 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 0.4962 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 2.8462 -3.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0303 2.4102 -2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0570 2.3941 -5.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0123 2.0955 -3.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2623 4.3440 -2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 4.6688 -4.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3992 4.0448 -4.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4583 4.4144 -5.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2999 6.2884 -3.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 6.7130 -5.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7603 6.4148 -4.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1672 -0.8937 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4646 -0.4930 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7889 -3.9706 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1953 -1.4247 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8972 -3.2548 -1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3053 -3.3047 -4.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 -2.5263 -3.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -0.3820 -4.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6578 -1.2314 -5.1513 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 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 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END