HMDB0268411 RDKit 3D PA(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-22:0) 134133 0 0 0 0 0 0 0 0999 V2000 -16.1237 -0.2457 -1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1689 0.5911 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4414 1.3643 0.4087 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.3913 2.1352 1.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4443 2.2682 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2086 2.3580 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2313 3.2452 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0343 3.3821 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4709 2.6486 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3421 1.8676 0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2272 0.5745 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1938 -0.3073 1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8848 -1.3176 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8920 -1.5945 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1687 -0.9399 -1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2822 -1.8566 -2.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0327 -1.6775 -2.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2909 -0.4881 -2.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1352 -0.8682 -1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4297 0.4096 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2376 0.1077 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 1.1347 0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 -1.1193 0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 -1.2649 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 -0.6025 0.2360 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4190 -1.1439 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5558 -0.3452 -1.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5507 -0.9001 -3.5795 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5454 -0.0492 -4.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -0.7507 -4.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -2.5181 -3.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -0.6328 0.8324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5169 0.5212 1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1711 1.6201 0.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 0.6716 1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 -0.2906 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1410 0.0613 1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 -0.8313 1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 -0.3778 2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7828 -1.1323 1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9953 -1.0370 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.3367 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 1.2071 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 0.9592 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3958 -0.2367 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 -0.6479 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3855 0.3281 2.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7209 0.8029 1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7072 -0.3424 1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0876 0.1939 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1117 0.9077 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7679 0.0558 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7106 -1.0349 -1.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9680 -2.0891 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0833 -0.4418 -1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0574 0.0598 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4578 -1.2962 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1354 -0.2119 -0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9488 -0.0294 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5955 1.3334 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9881 0.6395 1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2622 1.9938 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6554 2.8866 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0097 1.7483 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5389 3.8342 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3193 4.0734 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0513 3.4944 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2507 2.1310 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5470 2.4720 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2752 0.1696 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6008 -0.8174 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9616 0.2573 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5523 -1.9871 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5515 -2.4756 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0064 -0.7081 -2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7668 0.0481 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7376 -2.7897 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4143 -2.4448 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8294 0.3408 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7594 -0.0348 -3.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5705 -1.3063 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4422 -1.5773 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1669 1.0238 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1111 0.9171 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2925 -2.3010 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6575 -0.6509 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6812 0.4656 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 -0.9983 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1811 -2.2063 -1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2606 0.2086 -4.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 -2.5828 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 1.6904 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 0.5885 2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -0.1969 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -1.3149 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.1034 1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 -0.0095 3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 -1.8620 1.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 -0.8166 0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 0.7321 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 -0.5081 3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 -2.1766 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 -0.6440 2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7905 -1.7619 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -1.5103 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 0.8927 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0044 0.3207 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9721 2.2350 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 1.4930 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 1.8429 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6518 1.2009 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 -0.2014 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9447 -1.1135 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3971 -1.5398 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8567 -1.0897 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5147 -0.0591 3.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7589 1.2563 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1528 1.4589 2.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7030 1.4510 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -0.8503 2.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3423 -1.1135 0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8991 -0.5030 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2416 1.0302 1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4189 1.8038 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1196 1.4156 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 -0.4088 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6211 0.6865 -2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3261 -1.5201 -2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1428 -3.0539 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1683 -2.3349 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9364 -1.9862 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5681 -1.1430 -2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8723 0.5127 -2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7097 -0.3446 -1.0689 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 1 4 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 6 26 88 1 0 26 89 1 0 30 90 1 0 31 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 54129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M END