HMDB0263490 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/17:0) 121120 0 0 0 0 0 0 0 0999 V2000 -11.3540 2.3662 -3.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8445 2.0324 -2.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0206 1.8002 -1.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6207 1.4710 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7869 0.1989 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4510 -0.0751 1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 -1.3455 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3907 -1.4922 3.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6755 -2.7563 3.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3367 -2.8512 2.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4193 -1.7847 3.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0296 -1.9119 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 -1.8089 1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -2.0844 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.1434 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -1.5647 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -0.6153 1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 0.5020 2.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2436 -0.8915 2.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -0.1562 2.6323 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5330 -0.1042 1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4486 0.5086 0.6392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 0.5879 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5764 0.0427 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 1.2777 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 1.0357 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -0.4041 -2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -1.3571 -1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 -2.3820 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 -2.8414 -2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 -2.9958 -1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -2.5261 -2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -1.7082 -3.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.0137 -4.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6632 0.2906 -4.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 1.0518 -4.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8689 2.3514 -4.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 3.2430 -3.9869 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9990 3.0486 -4.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 3.2143 -2.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 3.5817 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4185 2.8154 -1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7956 3.4443 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8219 3.3138 1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -0.7149 4.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 -2.0493 4.0784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 -2.5810 5.6787 P 0 0 0 0 0 5 0 0 0 0 0 0 3.1301 -4.0754 5.7375 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 -1.8414 6.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -2.1426 6.6367 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7562 3.3898 -3.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1635 1.6351 -3.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5323 2.3211 -4.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2486 1.1082 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2314 2.8952 -2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6828 0.9741 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6987 2.6832 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9740 2.2813 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5154 1.3536 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3440 -0.6633 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8141 0.3837 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4060 -0.2634 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9162 0.7422 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6982 -1.1952 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1336 -2.2455 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3575 -1.4023 3.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7821 -0.6308 3.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 -3.6220 2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6244 -2.9554 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3693 -2.7250 1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9078 -3.8678 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 -1.8101 4.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8758 -0.7892 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -2.9314 2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4282 -1.1193 3.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 -0.7932 0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -2.5128 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 -2.0110 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 -3.1377 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -1.2532 2.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5081 -0.1070 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8227 -1.6060 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8363 -2.5948 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 0.9166 2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 0.3706 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 -1.1719 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3835 2.3968 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 1.0745 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 1.6865 -3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 1.3398 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -0.6195 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 -0.4350 -2.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -1.2323 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -3.0234 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -2.1161 -3.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -3.8248 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9913 -3.6168 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 -2.8330 -1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1115 -0.9205 -2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1525 -2.2809 -4.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5993 -1.4132 -4.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 0.7907 -5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 0.7220 -3.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 2.7575 -5.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6576 4.3369 -4.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1203 2.0857 -4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8483 2.1278 -2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4825 3.7828 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3306 3.4834 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4235 4.6874 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6362 1.7526 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6838 2.9257 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9355 2.8653 0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5531 4.4824 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2965 3.2084 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4263 4.2376 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4412 2.4242 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 -0.0788 4.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -0.5757 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -2.2923 6.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7242 -1.1679 6.7457 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 1 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 2 0 17 19 1 0 19 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 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 20 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 20 84 1 1 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 37104 1 0 38105 1 6 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 49120 1 0 50121 1 0 M END