HMDB0264725 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(20)/20:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -16.4640 -1.8085 1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8043 -1.2963 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2830 0.0585 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0836 1.1823 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8882 1.9129 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6320 1.2700 1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8394 0.5813 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5966 -0.0884 1.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7462 0.9395 1.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5207 1.2114 1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8500 0.5120 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4883 1.3873 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5892 2.5313 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2524 3.4101 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4487 2.9037 -2.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 2.5718 -2.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4231 1.6100 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7898 0.1545 -1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9473 -0.6832 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5355 -0.5611 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -0.1559 -2.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5314 -0.8900 -0.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -0.7289 -0.7971 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4040 -2.0919 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 -2.2531 -1.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.9345 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 -1.4097 0.5385 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1093 -2.2482 -1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 -1.5410 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 -1.8666 -1.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -3.3024 -1.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 -3.7591 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0591 -2.8807 -0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -3.2281 -1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3353 -3.6709 -1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8288 -3.9513 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0274 -3.8198 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 -2.9926 2.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1843 -1.9657 2.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2850 -1.7731 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5223 -0.6993 0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6309 0.4469 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1405 1.7600 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1913 2.4626 0.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5282 1.8631 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3544 2.9426 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4379 4.1095 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.3664 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 0.8334 -0.4013 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1738 2.0697 0.6166 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3361 2.7569 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 1.3518 2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 3.1837 0.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5479 -1.8687 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0734 -2.8234 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0941 -1.1546 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7518 -1.4440 0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2157 -1.9931 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3768 -0.0021 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7719 0.3089 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9000 1.9840 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5551 0.8915 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1587 2.7531 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5838 2.5847 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7838 0.5056 2.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0166 2.0553 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3636 -0.0025 -0.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4524 1.4770 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0218 -0.7343 2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1462 -0.7923 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1879 1.5162 2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0347 2.0287 2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3877 -0.3454 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8992 0.0638 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9553 0.7751 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4375 1.8130 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1666 3.1081 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7343 2.0950 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2612 3.6980 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8952 4.4314 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5373 3.6901 -3.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0567 2.0582 -3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 3.5565 -2.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 2.2671 -3.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2967 1.6603 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4838 1.8689 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6097 -0.2647 -2.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 -0.0808 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 -0.4213 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 -1.7373 -0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2216 -0.3924 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 -2.5820 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 -2.7378 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -3.3358 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 -1.8648 -2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -0.4431 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5641 -1.8761 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 -1.6857 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -1.1642 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 -3.9748 -1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0594 -4.8331 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1716 -2.8569 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8530 -1.7895 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9845 -3.0738 -2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0976 -3.8849 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 -3.5027 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1453 -5.0892 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1464 -4.5628 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3688 -3.1407 3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5999 -1.0369 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5685 -2.2421 3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0755 -2.5725 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4119 -0.7617 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6583 0.2791 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2102 0.5518 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3974 1.6885 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2344 2.4682 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3703 3.4465 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8549 2.8355 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5876 1.0042 -0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1096 1.6529 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2895 2.5305 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7094 3.1480 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2938 4.8947 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 0.1635 1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 1.2498 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 1.9873 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 3.1941 1.9922 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 2 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 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 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 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 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 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 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 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 6 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 53128 1 0 M END