HMDB0267320 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-12:0) 106105 0 0 0 0 0 0 0 0999 V2000 -10.3719 -3.0777 1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0789 -1.7541 1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2391 -1.8959 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0162 -0.8556 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6129 0.4710 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8572 1.4622 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5441 1.9639 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4474 0.9776 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 1.6111 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1611 2.1896 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7813 2.7872 1.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 1.7886 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 1.3263 2.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 1.2832 0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 0.2870 0.6989 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9239 0.7775 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 0.1379 -0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.0236 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -1.8271 -1.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -1.4948 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -1.3901 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 0.0473 1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 0.2722 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 1.0249 2.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 1.6833 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1044 3.1361 1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 3.8851 1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 3.3974 1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1275 3.9034 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5503 3.1343 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 1.6463 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 1.1258 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 0.2972 -2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3772 -0.2163 -3.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -1.6905 -3.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 -2.4329 -2.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 -2.4105 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0049 -3.2660 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8612 -4.5575 -0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 -0.9709 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -0.8781 -1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7078 -2.3025 -1.7468 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6426 -3.2282 -2.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -2.0409 -2.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 -3.0946 -0.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4828 -3.6765 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2975 -2.9454 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8367 -3.6452 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3682 -1.3056 2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0332 -1.1418 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6295 -2.9381 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8991 -1.6940 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7020 -1.3887 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2555 -0.7719 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8850 0.9397 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5993 0.3175 -0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5554 2.3836 -0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8141 1.1228 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2244 2.8201 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6461 2.4570 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5576 0.0361 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2767 0.7293 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 0.8026 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8825 2.4386 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3775 1.4354 2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8821 3.0191 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6518 3.5827 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7307 3.3137 2.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 0.1234 1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 1.8460 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3473 1.0456 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -0.7821 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 -2.4856 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -1.9953 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7495 -1.8661 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.2698 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 0.7612 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 -0.2190 3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 1.2035 3.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 1.2559 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 1.3857 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 3.6581 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0753 4.9845 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6631 2.3689 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 3.9614 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1859 5.0118 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9623 3.5757 -1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1113 1.3215 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8491 1.3000 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 1.4105 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -0.0396 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3131 0.1792 -3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 0.1237 -4.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6759 -1.9645 -4.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3078 -2.0874 -3.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7499 -2.0537 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5523 -3.5084 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 -1.4463 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6352 -2.9520 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 -2.7823 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7143 -3.2697 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7027 -5.0764 -0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 -1.8503 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -1.0621 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6056 -2.4706 -3.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -3.9746 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 15 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 15 69 1 1 16 70 1 0 16 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 33 91 1 0 34 92 1 0 34 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 40103 1 0 40104 1 0 44105 1 0 45106 1 0 M END