HMDB0268420 RDKit 3D PA(i-22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 136135 0 0 0 0 0 0 0 0999 V2000 19.9502 -0.2595 3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5950 -0.1883 4.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7199 0.8168 3.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5509 0.5512 3.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9477 -0.8018 3.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6214 -0.7259 4.0606 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9750 -1.9514 4.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7333 0.2878 3.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9159 0.0150 2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0843 1.0722 1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2577 0.8204 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 1.8604 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5825 1.6852 -0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 0.3877 -1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 0.1274 -2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7715 1.1548 -2.8974 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2616 1.7416 -4.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 0.6492 -3.2321 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4671 -0.2308 -4.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4861 1.8128 -3.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3741 2.8220 -2.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 2.2288 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 1.8329 -1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 2.1369 -2.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 1.1185 -0.6355 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 0.8455 -1.0617 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4350 1.6333 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 1.7359 -0.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 0.8869 -0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.3225 0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 1.4549 -0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0781 1.3993 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 0.0976 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4534 -0.7500 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6749 -1.1756 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1562 -0.2536 -1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 -1.0119 -2.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2476 -2.1076 -2.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6294 -1.5550 -2.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0203 -0.5753 -3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3818 -0.0168 -3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5011 0.7248 -2.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9218 1.2730 -1.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9708 0.2211 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9463 -0.7455 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1732 0.0491 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1785 -0.9452 1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4325 -0.1854 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4450 -1.1969 3.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5599 -2.1787 3.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7722 -0.4557 5.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 -0.6327 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1637 -1.1393 -1.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 -2.8074 -1.8496 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4105 -3.2852 -2.5533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -3.4940 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -3.3349 -2.7869 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8461 -1.0303 3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7623 -0.5756 4.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1510 0.7335 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8477 0.2117 5.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1623 -1.1656 4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0619 1.8749 3.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0092 1.4101 2.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5749 -1.6093 3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6714 -1.0121 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8021 -0.4209 5.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4945 -2.6727 3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7276 1.3045 3.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8802 -0.9659 2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 2.0853 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 -0.1887 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4995 2.8608 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 2.5761 -0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0424 -0.4628 -0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -0.8696 -2.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 2.0018 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2454 1.7162 -4.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9009 0.1188 -2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 -0.5014 -4.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5076 1.3790 -3.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 2.3215 -4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 3.3721 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 3.6323 -2.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 1.3947 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 2.9738 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 1.2346 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 2.6805 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 1.3149 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 0.9214 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 2.5361 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 1.9710 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 2.0983 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4424 -0.5690 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 0.2340 2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4727 -0.4069 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3445 -1.7503 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7438 -1.7454 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -2.0299 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7069 0.6788 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2461 0.0279 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -1.4043 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4779 -0.2985 -3.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3396 -2.5149 -3.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9998 -2.9205 -2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7694 -1.1552 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3100 -2.4619 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3293 0.3216 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9105 -0.9842 -4.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0878 -0.8929 -3.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7251 0.6643 -4.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8103 1.5897 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2708 0.1163 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0309 1.8765 -2.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0541 1.9000 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0127 -0.3132 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9611 0.7627 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7398 -1.4991 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9740 -1.2781 -0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3132 0.7487 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1307 0.5777 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1892 -1.4253 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0075 -1.6658 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3987 0.3213 2.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6490 0.5789 3.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4935 -1.7476 4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0606 -2.5446 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1122 -3.0382 3.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3078 -1.7012 2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4821 -1.0100 6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2638 0.5284 5.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8629 -0.2368 5.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -0.9916 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -1.0441 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0818 -4.4801 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 -2.7007 -3.5733 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 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 2 0 29 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 1 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 1 17 78 1 0 18 79 1 1 19 80 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 6 27 88 1 0 27 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 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 56135 1 0 57136 1 0 M END