HMDB0284915 RDKit 3D PE(18:1(12Z)-O(9S,10R)/DiMe(13,5)) 143144 0 0 0 0 0 0 0 0999 V2000 16.9017 1.3734 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3326 1.4444 0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3213 1.1050 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0913 1.8939 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0950 1.9310 0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 0.6513 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2143 0.4121 0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2112 1.3797 0.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 0.8563 2.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4142 1.6012 2.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 0.4774 1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2317 0.8951 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8308 0.2943 0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9192 0.6224 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -0.0388 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7592 -1.5431 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.1323 -1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -3.5987 -1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3393 -4.3357 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -5.4755 -0.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -3.8578 -0.9455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9328 -4.5972 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6314 -3.9204 -0.9117 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6459 -3.6516 -2.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7442 -2.8497 -2.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8849 -2.4265 -4.3117 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5623 -3.5827 -5.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 -1.1537 -4.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -1.8564 -4.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -1.3432 -5.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 -0.8455 -6.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8869 -0.3391 -7.6329 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -2.6297 -0.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.3269 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1809 -3.2376 1.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 -0.9785 1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -1.0252 2.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7628 0.2817 3.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4752 1.2970 2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 1.0901 1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 0.0249 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 -0.0528 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5501 -0.2296 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9515 -0.4060 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9341 -0.5433 2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0650 0.6715 2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5788 1.8308 2.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9121 1.4251 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1389 1.0200 0.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4196 0.7298 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9716 0.2510 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5351 1.1411 -2.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6491 2.0545 -1.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4352 3.2135 -1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7357 4.0385 -0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0462 0.9781 1.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5033 0.7719 1.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0990 1.4174 2.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3625 1.7970 3.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1204 0.6484 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6540 2.3724 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7753 1.0014 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8321 2.4444 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2282 0.7378 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0689 -0.0168 1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8553 1.1426 2.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6052 1.5391 2.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4211 2.9751 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3508 2.7571 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 2.2981 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2068 -0.1519 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 -0.6071 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4553 1.4328 -0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5071 2.4016 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9852 0.1258 2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5281 -0.2952 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 1.9981 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6859 0.5656 -0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0360 -0.8194 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4371 0.6476 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 0.3731 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 1.7269 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8131 0.1949 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.3218 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7238 -1.9416 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 -1.7856 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2587 -1.6666 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 -1.9327 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9206 -4.0248 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 -3.7685 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9572 -5.5647 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 -4.8092 0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -4.5855 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 -4.5722 -2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 -3.0317 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -0.7215 -3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8638 -0.4493 -6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 -2.0542 -6.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -1.5829 -6.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 0.0556 -5.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 -1.0064 -8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 -0.1361 -7.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -0.3163 0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -0.5847 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7738 -1.6263 3.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.6738 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 0.1641 4.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 0.7391 3.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 1.7172 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 2.2155 2.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5971 0.9717 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1577 2.0932 1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 0.2544 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8446 -0.9981 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 -0.9506 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7762 0.8928 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -1.1404 2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5429 0.6137 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9748 -1.3943 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2336 0.3751 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9318 -0.9140 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5801 -1.3684 2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0996 0.9517 3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7711 0.5079 3.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8566 1.9737 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6361 2.7123 2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2014 -0.4124 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7571 -0.5686 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7896 0.4670 -3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6494 1.7173 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9693 2.4677 -2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5601 1.4619 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1230 3.0170 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6771 3.9220 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0507 4.1481 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5312 5.0314 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5344 3.5751 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5499 0.0468 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0003 1.7366 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9781 0.2976 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3281 0.8874 4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3996 2.1878 3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6792 2.5715 3.9759 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 1 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 50 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 11 9 1 0 58 48 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 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 46123 1 0 46124 1 0 47125 1 0 47126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 55137 1 0 57138 1 0 57139 1 0 57140 1 0 59141 1 0 59142 1 0 59143 1 0 M END