HMDB0284291 RDKit 3D PE(18:1(12Z)-O(9S,10R)/22:5(7Z,10Z,13Z,16Z,19Z)) 132132 0 0 0 0 0 0 0 0999 V2000 -17.5273 -2.6236 1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1396 -2.6431 2.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1437 -2.8255 1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1912 -1.9746 0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9566 -0.7065 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7269 -0.4182 2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6744 -1.1479 2.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4492 -2.4869 1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 -2.9245 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6130 -2.2725 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4674 -0.8121 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7063 -0.2694 -1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7264 0.3182 -1.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3514 0.5318 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5009 -0.2140 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6002 0.3496 -2.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3187 1.7615 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 2.2237 -2.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 1.8476 -3.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 0.4304 -3.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -0.2906 -2.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 0.3068 -1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1863 1.2019 -2.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 -0.0950 -0.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 0.5513 -0.2856 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0407 -0.5635 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2836 -0.2075 -0.1477 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2362 0.3540 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9962 0.8047 1.6858 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 0.4744 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 1.1113 -1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 1.3094 -2.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4416 -0.0188 -2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5975 -0.9982 -3.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2477 -2.2821 -3.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7827 -3.1545 -2.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9433 -2.6526 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4429 -3.5574 -0.6131 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 -2.4296 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8196 -1.3439 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 -1.7567 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1929 -1.9495 0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -1.7533 2.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 -0.7286 3.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2218 -0.7495 3.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0036 -0.6207 2.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 0.7029 1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 1.1269 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 2.0016 0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5357 2.6330 2.5222 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.0743 1.6024 3.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 2.8857 2.8208 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 4.0095 2.7682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 4.9869 1.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 6.1845 2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 7.2004 1.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7234 -3.5851 1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2958 -2.4576 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5696 -1.7462 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1001 -3.6163 2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9718 -1.8689 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2340 -3.7666 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5296 -2.2456 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8519 -0.5154 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1820 0.1373 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6441 0.6147 2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8271 -0.6767 3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4153 -3.0754 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1641 -3.0487 2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4284 -4.0565 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9074 -2.8227 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1728 -0.2601 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4798 -0.5096 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6877 -0.3764 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9484 0.7034 -2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0853 1.5638 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1812 -0.0528 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 -1.3035 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 -0.3039 -3.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0176 2.3067 -2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5461 2.2386 -3.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 3.3613 -2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7237 2.0560 -1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 2.4657 -3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 2.2117 -4.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4158 0.4868 -4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0017 -0.2143 -4.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 -1.3435 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8552 -0.3271 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 1.2740 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 -1.2105 -1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -1.2648 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 1.1222 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 -0.4998 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 0.6243 -1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 2.1410 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4767 1.8328 -3.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 1.9312 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3666 0.2365 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7221 -0.4496 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -0.6026 -4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 -1.2586 -2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5855 -2.9234 -4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 -2.0216 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -3.4894 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 -4.1634 -2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7117 -2.1314 -2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8788 -2.4405 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6402 -0.4044 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5762 -1.0896 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4286 -1.9295 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1547 -2.2947 0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 -1.5578 2.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1566 -2.7847 2.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5188 0.3182 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2839 -0.6091 4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5996 -1.6254 3.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4975 0.1234 3.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9387 -1.4067 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1166 -0.4957 2.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5938 1.4349 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3746 0.9357 0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5888 0.5759 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6773 1.7598 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 0.3765 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 3.8472 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 5.3197 1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 4.5634 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 5.8958 2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 6.6316 3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 7.1712 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 8.1255 1.4946 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 2 0 16 17 1 0 17 18 1 0 18 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 28 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 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 39 37 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 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 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 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 39108 1 0 40109 1 0 40110 1 0 41111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 52126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 M END