HMDB0265557 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/22:0) 136135 0 0 0 0 0 0 0 0999 V2000 12.0648 2.8470 4.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1694 2.2201 3.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 1.7657 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6570 1.1550 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3133 -0.0538 1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3395 -0.5451 0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3570 -1.7327 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3352 -2.7629 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6646 -3.1578 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3884 -3.0636 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3930 -2.5257 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -1.4197 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2884 -1.5648 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -2.7296 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -2.8171 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5679 -4.0454 0.1747 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3229 -3.9150 1.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 -4.4420 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -3.4841 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 -3.0742 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5173 -2.2713 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -2.7091 -0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -1.1654 1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.4559 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.0600 -0.4530 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9050 0.9557 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 2.1679 -0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 3.0621 -0.8995 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6150 4.0401 -1.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0249 3.8508 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 2.0383 -1.7825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4814 0.7193 -0.6318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 0.1847 -1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0394 -0.8451 -2.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 0.7646 -1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 1.4497 -3.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0929 2.0228 -3.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 1.0257 -3.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5293 1.6299 -3.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0869 2.6165 -2.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3754 2.2771 -1.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2473 1.9107 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6872 1.5133 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4071 2.6017 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 2.2846 2.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1634 1.5142 3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5177 0.2111 2.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8823 0.1095 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0884 0.9606 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3533 0.5778 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7729 -0.8478 1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9713 -1.0930 -0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0047 -0.2380 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3911 -0.3870 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9605 -1.7714 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5775 2.0188 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3164 3.3209 3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5130 3.6053 4.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 2.9864 3.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5552 1.3250 3.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7487 1.0605 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 2.6740 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2131 0.8304 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4668 1.8822 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5964 -0.7711 2.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8825 0.3450 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1649 0.1628 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1921 -1.9740 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6517 -2.5391 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9828 -3.6682 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2997 -3.5815 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -3.4049 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9767 -2.0037 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 -3.2611 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0813 -0.5391 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7580 -0.7070 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 -3.5831 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 -1.9836 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -4.9254 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -3.8429 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 -4.6379 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 -5.4146 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -2.5508 -1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -3.8078 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -3.9904 1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 -2.5344 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 0.4284 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -1.0615 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 -0.8289 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 1.0729 -2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 0.4115 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8552 4.3112 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 1.8216 -2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 -0.1052 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 1.4163 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 0.6941 -3.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 2.2879 -3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 2.5001 -4.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 2.8046 -2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1793 0.1990 -2.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 0.4641 -4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2665 0.7991 -3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4723 2.1385 -4.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5052 3.5858 -2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 2.9452 -3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2184 1.5283 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8471 3.2078 -0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5596 2.8022 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6594 1.0820 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6457 1.4853 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0434 0.4960 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2224 3.0022 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6779 3.4538 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1302 3.3070 3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0858 1.9079 3.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0549 2.2650 2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2914 1.4153 4.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6261 -0.5014 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2981 -0.3275 3.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1931 -0.9811 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0979 0.3522 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2128 0.9330 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8449 2.0014 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1368 1.2724 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2223 0.7238 2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0388 -1.5521 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7810 -0.9693 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1307 -2.1845 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9971 -0.8637 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7163 0.8357 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9695 -0.4159 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0533 0.2841 -0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5128 -0.0639 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3315 -1.8932 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3158 -2.5843 -0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8841 -1.8136 0.1454 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 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 2 0 15 16 1 0 16 17 1 0 16 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 54 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 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 1 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 31 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 M END