HMDB0010641 RDKit 3D PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -9.5439 6.7254 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4985 5.9696 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8423 4.7371 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4191 3.8485 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7744 2.5609 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6031 2.8072 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5289 2.4687 2.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5673 1.7978 3.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0803 0.5417 3.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5953 -0.6403 3.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7788 -1.0504 2.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5591 -2.1490 1.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7327 -2.1655 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1919 -1.0418 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3664 -0.4449 -1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1778 -0.6979 -1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2481 -1.7039 -1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 -1.1911 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0849 -0.4036 -1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 -1.0561 -2.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -2.3564 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 -2.3866 -1.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 -2.3095 -0.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 -2.5136 -2.5794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 -2.5893 -1.8013 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5968 -1.4388 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -1.6798 -1.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8596 -0.9208 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 0.1301 -1.7739 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -1.4542 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6575 -1.1450 1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 0.2724 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 0.9689 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 0.2023 2.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 0.6747 2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1511 0.8139 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 1.2344 1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0962 2.3252 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4506 3.3441 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2832 4.6557 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 5.4924 1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3043 6.1459 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1978 5.4332 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2452 4.5677 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0708 3.9366 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7203 5.0134 -1.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -3.9242 -2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 -4.9772 -1.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2641 -6.4640 -1.8767 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6988 -7.3596 -2.6246 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 -6.2129 -2.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 -7.1427 -0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -8.5068 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 -9.1418 0.8810 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1965 -8.4397 1.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -10.5766 0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 -10.5754 0.4928 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5203 6.7571 -0.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5878 6.2579 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9247 7.7756 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8189 6.5876 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3971 5.6942 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9087 5.0266 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4781 4.1668 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 4.3706 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3594 3.5395 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3678 2.0860 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5275 1.8776 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 3.3121 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5958 2.7000 2.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5174 1.6417 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8571 2.4809 3.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1546 0.6082 4.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 -1.4788 4.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2673 -0.1789 2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5169 -1.4420 3.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1888 -3.1340 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5740 -3.1267 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1728 -1.3921 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5734 -0.2214 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8717 0.4171 -1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 -0.0467 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6407 -2.3770 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9905 -2.3768 -2.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4201 -2.0610 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2212 -0.5160 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5274 0.5961 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 -0.1627 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -0.3407 -3.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5403 -1.1969 -3.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7137 -3.1483 -2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 -2.7463 -3.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 -2.5476 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8789 -1.4135 -3.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 -0.4620 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9005 -1.0396 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -2.5544 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -1.5177 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2576 -1.8150 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 0.3241 2.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8892 0.8204 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8882 1.9845 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 1.0781 0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0284 -0.8838 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5935 0.2162 3.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 1.6020 2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 -0.0824 2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 1.3911 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2215 -0.2345 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0464 0.5189 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 2.5468 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1297 3.4814 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5001 2.9771 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6804 5.2905 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 4.6111 1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0101 6.3432 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0183 4.9148 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8936 6.9898 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6165 6.7833 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8010 6.3021 -1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6483 4.9404 -1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9118 5.2610 0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8270 3.7921 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8742 3.3226 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4118 3.2881 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9610 5.4904 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5043 4.5421 -2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2218 5.7419 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -3.9875 -1.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -4.0960 -3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -6.8397 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7835 -9.0019 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8329 -8.5842 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 -9.0950 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -9.0458 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -10.9929 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -11.1928 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 -11.1256 -0.3188 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 25 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 54 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 53132 1 0 53133 1 0 54134 1 1 55135 1 0 56136 1 0 56137 1 0 57138 1 0 M END