HMDB0284771 RDKit 3D PE(20:4(5Z,8Z,11Z,13E)-OH(15S)/DiMe(11,5)) 139139 0 0 0 0 0 0 0 0999 V2000 -7.3860 8.0060 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 6.5085 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3433 5.9592 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 4.4998 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 3.9295 -1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 4.3359 -1.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 3.5892 -1.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 4.1684 -1.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 3.6024 -1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 4.1361 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 5.6021 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8717 6.2200 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 6.0653 2.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 4.7447 3.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 4.1229 3.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 4.9969 4.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 4.5472 4.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 3.2761 4.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 2.0016 4.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 0.9290 4.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 1.7721 2.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 0.4681 2.3877 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5739 0.3229 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -0.9747 0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7433 -1.2084 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.2177 -1.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -2.4876 -1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.0934 -1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -4.4433 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -5.0137 -2.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -6.1667 -1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6855 -7.0223 -1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1002 -7.1968 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 -6.8667 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 -6.2485 1.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 -7.0998 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -7.6486 1.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -7.4814 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -8.0899 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3569 -7.9790 -2.1409 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5251 -8.0233 -2.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 -6.7528 -2.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 -5.4596 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7014 -4.3463 -2.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -2.9722 -2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -2.7265 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 0.1654 2.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 1.0205 2.1666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 0.4996 2.7268 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7177 1.5964 2.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 -0.1026 4.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -0.7701 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -1.1357 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 -2.2669 1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -3.4872 1.6806 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 5.3447 -2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 6.3415 -2.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 5.4594 -2.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 6.5825 -2.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0396 8.4849 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3743 8.4554 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8661 8.2148 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3415 6.1223 -1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0642 6.2742 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4078 6.5469 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 6.1351 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1076 3.9920 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5329 4.2060 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0317 4.1095 -2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4791 2.8058 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 2.5093 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1601 3.9392 -2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 3.8662 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 3.5825 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 6.1146 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 5.9681 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 7.3530 0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9944 5.9199 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 6.4940 2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 6.7753 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 4.0716 2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 4.8926 4.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 3.1798 3.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 3.9991 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 5.2259 5.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 5.9921 3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 5.3904 4.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 4.6032 2.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 3.2671 5.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 3.3719 4.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 -0.2428 3.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 1.0004 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 0.4990 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 -3.2333 -1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2893 -2.3613 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 -2.4232 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4443 -3.2798 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7455 -4.2498 -3.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -5.0143 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -4.3988 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 -6.5073 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8547 -8.0719 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -6.8420 -1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1081 -7.6593 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 -7.0419 2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 -6.0646 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 -5.2841 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 -7.2576 2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 -8.2617 1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 -6.9091 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0979 -8.6697 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -8.8939 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 -8.3493 -2.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 -6.7930 -1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -6.6878 -3.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -5.3271 -2.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -5.4253 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -4.4372 -3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6423 -4.4182 -1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -2.7735 -2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 -2.2417 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -3.5466 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7599 -2.4850 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 -1.7800 -0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 0.1680 3.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 -0.8811 2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 0.5771 4.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 -1.4456 3.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 -0.2693 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 -2.4788 2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5412 -1.9582 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -3.8633 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8786 -4.2610 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 6.6457 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3236 5.8070 -3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 7.2042 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1557 6.1837 -3.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 7.2721 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 7.1387 -3.6155 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 22 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 1 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 6 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 46124 1 0 47125 1 0 47126 1 0 51127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 57134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 M END