HMDB0285256 RDKit 3D PE(P-16:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 127127 0 0 0 0 0 0 0 0999 V2000 12.2010 2.7852 -1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3928 3.2289 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4611 4.7222 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6132 5.4256 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5088 4.9274 1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1326 5.4839 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7748 5.2694 -0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 4.4508 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7098 4.4098 0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 3.2263 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6749 2.2084 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 2.0091 1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 0.8194 2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 -0.2958 2.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.7203 2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0031 2.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -0.2056 1.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3841 -1.1129 0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5151 -1.9492 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -1.7698 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 -0.7559 -1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 -1.3569 -3.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -2.3839 -3.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -3.4131 -4.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 -2.2603 -2.7482 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -3.3217 -2.8622 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8335 -2.9980 -3.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 -2.1183 -2.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 -1.4177 -2.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -1.4018 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.4901 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6953 0.1030 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5429 1.0760 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 0.4394 0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0403 1.4834 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0768 2.0394 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9924 0.9638 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7642 0.3044 1.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6356 1.2732 2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6392 1.9627 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4409 2.8782 2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4224 3.6981 1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5043 3.0375 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1129 2.1679 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6994 -4.2070 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -4.5581 -1.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8285 -5.4857 -0.7296 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4675 -5.0689 0.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 -5.2688 -0.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -7.1268 -0.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -7.9090 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 -9.3527 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -9.6863 -2.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2413 2.2181 -1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1726 3.6560 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9823 2.0591 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 2.8087 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3628 2.7584 0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2816 5.1766 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7423 6.5320 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 3.8395 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6555 5.3267 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 6.4376 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6495 3.3997 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 4.5461 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2922 5.3250 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 3.2887 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 1.3745 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 1.8597 2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 2.8539 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3985 0.9605 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 -1.0898 2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -1.7887 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 -0.9955 4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 0.7764 3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 0.4516 1.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4452 -1.8295 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9811 -0.5782 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 -2.7838 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0943 -2.4202 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 0.0057 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 -0.1546 -1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5733 -0.5553 -4.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -1.8266 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -4.0314 -3.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -4.0231 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -2.6809 -4.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0754 -0.6398 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -2.1126 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 0.3894 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -1.0016 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 0.6183 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -0.6714 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2932 1.4652 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9702 1.9905 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7838 -0.4415 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4362 0.0132 1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3658 2.3303 1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5666 1.0794 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6921 2.7543 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6283 2.6400 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6650 1.4276 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4831 0.1400 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0759 -0.1693 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3775 -0.4994 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0364 2.0048 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2213 0.7006 2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2278 1.1489 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1458 2.5323 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9196 2.3046 2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6978 3.5405 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8886 4.3794 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9079 4.4071 2.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2006 3.8328 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0905 2.4089 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2329 1.0766 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1198 2.4257 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8825 2.3638 -1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 -3.6878 -0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -5.1000 -1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8843 -4.6374 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -7.6844 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 -7.7016 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 -9.6019 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 -10.0026 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5868 -9.6506 -2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -9.0251 -2.8767 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 8 6 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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 6 27 86 1 0 27 87 1 0 29 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 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 44118 1 0 45119 1 0 45120 1 0 49121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 M END