HMDB0272796 RDKit 3D PGP(18:3(10,12,15)-OH(9)/18:1(9Z)) 134133 0 0 0 0 0 0 0 0999 V2000 1.3821 -5.0363 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -4.9339 -2.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -4.7670 -3.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6856 -4.7125 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8176 -4.5438 -4.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -3.3313 -3.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9355 -3.4418 -3.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 -2.2952 -3.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 -2.5268 -2.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -1.5759 -2.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1922 -1.6952 -3.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7803 -1.7884 -1.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8017 -1.5580 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4668 -1.9228 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -3.3515 1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7416 -4.3697 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -4.3837 0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5331 -3.3494 1.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2825 -3.1022 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9882 -3.6305 -0.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -2.1861 1.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -1.7719 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.9007 1.5956 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4727 0.1180 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6746 1.0907 1.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 2.3843 1.5231 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9267 2.3361 2.2561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 2.3845 -0.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 3.8719 1.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 4.4577 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 5.7692 1.5428 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1212 6.4217 0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 5.5118 2.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 4.8528 3.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 4.5699 5.1428 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1247 5.8254 5.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 3.3867 4.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 4.0544 6.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.5264 2.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -1.4374 4.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -0.6249 4.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4677 -2.3526 4.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -2.1967 4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -0.8310 5.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 -0.5977 4.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 -0.6549 3.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 -1.8712 2.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8137 -1.5310 1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0078 -2.6468 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -2.6171 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1558 -1.4687 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 -0.9381 -2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3545 0.2071 -2.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0336 1.3444 -2.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 2.4966 -2.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 2.0533 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 3.2315 -4.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 3.8013 -5.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 -5.8913 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 -5.2837 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -4.0709 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1983 -5.9286 -2.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 -4.1803 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 -4.6904 -4.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -4.8039 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4575 -4.4252 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -5.4437 -3.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 -2.3765 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3284 -4.4527 -3.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -1.2854 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3723 -3.6011 -2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7363 -0.5302 -2.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0034 -2.4155 -4.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2029 -2.8150 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6449 -1.0934 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9191 -2.0910 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5824 -0.4550 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 -1.4601 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4890 -1.3887 1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -3.7687 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5165 -3.4049 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4758 -4.3826 2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2513 -5.3953 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -4.4008 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -5.3894 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1633 -3.7393 2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0007 -2.4111 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4724 -1.0577 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -2.5355 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -0.2209 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4504 -0.3765 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 0.5286 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 2.1558 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 3.8909 0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 4.6525 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 6.4441 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 5.8761 0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 4.9599 2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4874 6.4873 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 2.6521 5.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8022 3.2232 6.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -3.4192 4.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 -2.1649 5.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -2.5074 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 -2.8885 5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 -0.5273 6.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 -0.0500 4.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 0.4366 5.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -1.3314 5.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 0.1915 3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 -0.2478 3.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 -1.9970 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0483 -2.7631 3.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7635 -1.4195 2.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 -0.5841 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4234 -3.5722 1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9032 -3.5147 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -0.6829 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2359 -1.8833 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0096 -0.5683 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -1.7163 -3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 0.6058 -3.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 -0.1541 -3.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9544 1.6639 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 1.0468 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0614 2.8400 -3.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 3.3086 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3722 1.6545 -2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 1.2830 -4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 2.8973 -4.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 4.0296 -3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 4.2724 -6.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 4.5665 -4.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 3.0272 -5.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 23 39 1 0 39 40 1 0 40 41 2 0 40 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 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 1 24 91 1 0 24 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 31 96 1 1 32 97 1 0 33 98 1 0 33 99 1 0 37100 1 0 38101 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 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 M END