HMDB0260577 RDKit 3D PE(20:4(6E,8Z,11Z,14Z)-OH(5S)/14:0) 120119 0 0 0 0 0 0 0 0999 V2000 15.1244 -1.0574 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7643 -0.6377 1.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6705 0.8599 1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3317 1.3879 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1925 0.7987 1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9223 1.3091 1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0373 2.0161 1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0813 2.5227 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2284 2.3014 -1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2531 1.6442 -2.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0849 1.0065 -2.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 -0.4613 -2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4455 -1.3211 -2.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3071 -0.9777 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5505 -1.9370 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -1.6291 -0.1718 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8411 -1.0143 0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 -0.6723 -0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 -0.2863 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 -1.5147 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.1455 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 0.0520 1.1855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 -2.0446 1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -2.0270 1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0868 -1.3851 1.0539 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9818 0.0146 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 0.9755 1.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 2.5344 0.9770 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4534 3.1007 1.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 3.5421 1.5135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 2.5448 -0.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 3.1751 -1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 3.0717 -2.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 3.6786 -3.6479 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3384 -1.4662 1.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 -2.2001 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1933 -2.7562 0.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7127 -2.3711 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7179 -3.0617 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0159 -2.2717 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5994 -0.9187 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8468 -0.1500 -1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7654 -0.8427 -1.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1234 -1.2123 -1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0991 -0.1779 -1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8519 0.7208 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0313 1.6875 0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3119 0.9636 0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2436 0.0858 1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5753 -0.6230 1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8337 -0.2034 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6026 -1.7694 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 -1.5879 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0030 -1.1331 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6568 -0.9829 2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4562 1.3047 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7763 1.1735 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2161 1.1250 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3346 2.4812 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4684 0.8161 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 -0.3277 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 1.0406 2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 2.2977 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 2.2788 -0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9681 3.6813 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1905 2.7863 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2323 1.5603 -2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 1.3039 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0252 1.3709 -3.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0883 -0.8056 -3.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6583 -2.3877 -2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0691 0.0495 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -2.9593 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8767 -2.5849 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8934 -0.0334 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -1.1516 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 0.2496 -1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 0.3153 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 0.3511 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.9859 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -2.2532 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -1.6479 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -3.1228 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -2.0053 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 0.1595 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 0.2021 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 3.6560 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6222 4.2595 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 2.7787 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 3.4230 -2.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 1.9680 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 2.9986 -3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 3.8796 -4.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0913 -1.4481 2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5049 -3.0692 2.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -4.0914 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6549 -3.1915 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1144 -2.1553 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7793 -2.8503 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5657 -1.0302 0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8967 -0.3991 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9876 0.8933 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8321 -0.1320 -1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8492 -0.1916 -2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2078 -1.7553 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5971 -1.7841 -2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0818 -2.0052 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1035 -0.6911 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2757 0.4735 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9906 1.4260 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7116 0.1826 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7907 2.2731 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1047 2.3477 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6472 0.4270 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0797 1.7821 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4331 -0.6661 1.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0151 0.6701 2.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1138 -0.2248 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1855 -0.4906 0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4052 -1.7133 2.0276 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 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 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 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 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 1 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 0 24 83 1 0 25 84 1 6 26 85 1 0 26 86 1 0 30 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END