HMDB0267252 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-25:0) 147146 0 0 0 0 0 0 0 0999 V2000 4.1069 -4.2002 -2.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 -4.2007 -4.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -4.0609 -5.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -2.7688 -4.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3411 -2.5873 -5.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 -2.5683 -7.2103 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5078 -2.4097 -7.9888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -1.4830 -7.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 -0.3133 -6.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 0.6411 -7.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7612 1.8159 -6.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9213 2.2603 -5.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0527 3.4533 -5.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 3.9222 -3.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 5.1258 -3.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 5.6737 -2.4040 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9486 7.0302 -2.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 5.7218 -2.5423 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4928 6.3028 -1.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 4.3423 -2.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 3.5469 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 2.1427 -1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4586 1.4206 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 2.1201 0.8269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 0.0812 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 -0.6722 1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 -0.5604 1.4897 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7604 -1.7679 2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1425 -1.8483 2.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8151 -3.1213 3.0816 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6946 -3.9086 3.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -4.1349 2.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -2.4686 4.2434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 0.5950 1.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 1.2494 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 0.6976 0.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 2.4138 1.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3874 3.7705 1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 4.4415 1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 4.6180 3.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 5.3302 3.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5195 5.6835 4.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 4.6984 5.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 3.6322 6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 2.5988 5.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 1.5243 5.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7533 0.4675 4.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 -0.6336 4.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1074 -0.2731 5.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8328 -1.5788 5.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -2.5918 4.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 -2.0258 3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2583 -3.0135 1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9121 -2.3710 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8602 -3.2287 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4529 -3.4800 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 -4.3123 -2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -4.4254 -2.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7712 -3.8603 -3.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2468 -3.7784 -3.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 -3.2189 -2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0267 -4.4079 -2.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -4.9973 -2.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -5.1068 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -3.2963 -4.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 -4.8968 -5.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 -4.0535 -6.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 -2.7698 -3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -1.9090 -5.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -3.4262 -5.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7893 -1.6709 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 -3.5294 -7.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 -1.7471 -7.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.6524 -8.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 -0.1591 -6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 0.4431 -8.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 2.5282 -7.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 1.6148 -5.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 4.1133 -5.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 3.2117 -3.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 5.7516 -3.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 5.1418 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 7.5951 -2.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 6.2911 -3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 6.1338 -1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 4.6282 -2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 3.8570 -3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 3.4108 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 4.0706 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 2.2256 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 1.6132 -2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 -0.4826 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 -1.7789 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.8177 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -1.7213 3.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3247 -2.6524 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -3.6016 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 -1.5060 4.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8144 2.2459 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 2.4081 2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2926 4.4152 1.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 3.7526 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 5.5466 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 4.1549 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1176 3.6814 3.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 5.2970 3.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 6.2712 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0678 4.7330 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2284 6.5575 5.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 6.2539 4.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 5.3185 6.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 4.2443 6.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2298 3.0824 7.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 4.0411 6.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 3.0304 4.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 2.1020 4.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 1.1595 6.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 2.1067 5.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 -0.0102 4.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 0.9231 3.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 -1.3317 3.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -1.2691 5.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 0.3411 6.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 0.1859 4.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -1.9685 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8697 -1.3627 5.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4098 -3.4660 4.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 -3.0172 4.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 -1.8506 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8108 -1.1383 2.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -3.2930 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8248 -3.9454 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9891 -2.2085 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3992 -1.4096 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4032 -4.1703 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3701 -2.6195 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8633 -3.9179 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 -2.4673 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 -5.3885 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4151 -3.8233 -3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -5.4687 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -4.0525 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3778 -4.5179 -4.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -2.8465 -3.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7696 -4.3750 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -4.2380 -4.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6253 -2.7361 -3.5372 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 16 82 1 1 17 83 1 0 18 84 1 6 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 6 28 95 1 0 28 96 1 0 32 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 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 56137 1 0 56138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 60147 1 0 M END