HMDB0266454 RDKit 3D PA(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/24:1(15Z)) 141140 0 0 0 0 0 0 0 0999 V2000 13.9837 5.0811 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3705 4.7527 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 3.3575 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1336 2.3598 0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 2.2066 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1896 1.0705 1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7408 0.8344 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4579 0.4517 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2194 -0.7503 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6584 -1.8352 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2283 -2.1361 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 -3.3418 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9286 -3.0796 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 -2.1765 1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 -2.6375 1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7352 -3.0454 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 -2.0013 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6136 -0.8387 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -1.3072 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -1.9975 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -1.1217 -1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 0.0732 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0344 -0.4348 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 0.7524 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 1.8665 -0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 0.6245 -0.6484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 1.6673 -0.4336 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0845 1.3509 0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 0.2333 0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -1.0705 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3063 -1.3627 0.4561 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4039 -2.2212 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8039 -1.7659 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4705 -1.1384 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5159 -2.2047 1.9718 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1438 -1.6698 3.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2872 -3.3223 1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6253 -3.3119 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4291 -4.3461 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6900 -4.4952 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6225 -3.6787 1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2413 -2.5600 2.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5732 -1.2921 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4251 -0.8714 1.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7674 0.4082 1.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6451 0.7799 0.2415 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.8567 -0.3401 -0.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0058 1.1721 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9843 1.5812 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5080 2.7610 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3216 3.9339 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8514 5.1115 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 2.0033 -1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 2.3541 -2.7243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 2.7346 -4.1959 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6608 1.7450 -4.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 2.7808 -5.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3438 4.2705 -4.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 4.3865 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3350 5.3275 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 6.0634 -0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0666 5.3846 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5280 5.1725 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8120 3.0003 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9414 3.2749 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2395 2.6580 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5931 1.3320 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0565 3.0841 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5376 1.9970 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3779 1.4436 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7833 0.1853 1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3103 0.0297 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1410 1.7706 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 0.3207 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7187 1.2743 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3372 -0.7143 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3329 -2.6884 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5699 -1.2978 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1123 -2.5077 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5484 -4.1680 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8716 -3.6499 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 -4.0948 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9824 -2.7192 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3256 -1.8096 2.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9594 -1.2159 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 -1.8157 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5506 -3.4813 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7303 -3.3752 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9993 -3.9918 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -2.4046 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4089 -1.5475 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -0.1686 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1538 -0.2427 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 -1.9644 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -0.3899 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1442 -2.8699 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 -2.4184 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -1.7488 -2.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2152 -0.8296 -2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 0.6314 -2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.7746 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 -1.0339 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -1.0330 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6061 2.6451 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 2.2052 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 1.2254 1.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 -2.6589 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 -3.0275 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -0.9367 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 -2.5634 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9418 -0.2601 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5271 -0.9013 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5039 -2.5214 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4697 -0.7415 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -4.1163 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0071 -2.5006 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9071 -5.1202 0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1619 -5.4022 0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1949 -4.3927 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5110 -3.4377 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6206 -2.7403 3.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2097 -0.5158 3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8060 -1.5775 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3891 1.1384 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2269 1.6010 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1314 -0.1092 -1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4469 0.2792 1.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9009 1.9604 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1786 0.7460 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9681 1.8444 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5422 2.5719 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2884 3.0542 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2707 4.1586 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4959 3.6865 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2501 4.7102 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7057 5.7154 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2223 5.7639 -0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5067 1.1583 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4983 2.8870 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 2.0993 -6.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 4.1787 -3.5685 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 1 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 23102 1 0 23103 1 0 27104 1 1 28105 1 0 28106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 1 36114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 44123 1 0 45124 1 0 46125 1 6 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 57140 1 0 58141 1 0 M END