HMDB0274684 RDKit 3D PGP(20:3(8Z,11Z,14Z)-O(5,6)/a-25:0) 161161 0 0 0 0 0 0 0 0999 V2000 3.5737 -0.0395 3.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -0.3975 2.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -0.2352 3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 -0.5838 1.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1084 -0.3885 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -0.7791 1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7618 -1.7297 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 -2.5758 2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9818 -3.9973 2.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -4.7897 1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -4.5589 0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -5.3576 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8892 -5.0476 -2.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8137 -3.8498 -2.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1524 -3.2578 -3.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 -2.2449 -4.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 -1.8976 -2.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -0.8798 -2.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8128 0.3926 -1.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 1.1841 -2.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1157 2.4054 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6556 2.4706 -0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 3.4737 -2.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0392 4.5754 -1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7136 5.2911 -1.2226 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5513 5.9501 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 5.0925 1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 5.7443 2.6533 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4372 7.0409 2.7655 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3598 4.6515 3.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 6.0291 3.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3825 4.9008 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 4.9206 2.8454 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4251 3.6594 2.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1748 5.9542 2.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 5.7646 2.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 6.8234 1.4537 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1775 8.1492 2.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 6.9477 -0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 6.1966 1.3907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 6.0557 -2.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 5.6114 -3.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9209 4.4682 -3.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 6.4920 -4.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 5.7966 -5.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 4.9687 -5.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 4.3979 -6.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6941 3.4129 -5.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 2.8272 -6.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 1.7061 -6.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 0.5705 -5.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -0.5906 -5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -0.2309 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 -1.5121 -3.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6563 -1.2333 -1.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 -2.4347 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -3.4782 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 -4.6770 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 -4.2862 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8631 -5.5088 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 -4.9957 3.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3283 -6.1064 4.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 -5.4709 5.9629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 -4.4470 6.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9016 -4.9758 5.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 -3.9419 7.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -3.3414 7.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1772 0.8008 4.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -0.9385 4.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6357 0.0043 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 0.2255 1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9006 -1.4784 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 0.7658 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 -1.0133 3.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -0.0321 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4457 -1.6743 1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 -1.0102 3.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 0.6973 2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 -0.2467 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3113 -1.9369 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 -2.1086 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 -2.4291 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -4.5138 3.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -5.9191 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -4.9736 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -3.5047 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -6.4220 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -5.9015 -2.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -3.0509 -2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -4.1479 -3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0166 -3.9669 -3.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3754 -1.6827 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -1.2572 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -0.5871 -3.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 0.1361 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 1.0733 -1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2562 1.3921 -3.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7004 0.5992 -2.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8613 5.2319 -1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2346 4.0530 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 4.3911 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3014 6.7980 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 6.4306 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 4.3843 4.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 4.7062 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 3.9676 3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 5.0352 3.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 3.0056 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 6.9940 2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 5.7458 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8607 6.1151 -0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 6.4065 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 7.3070 -3.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 6.9807 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0419 6.5537 -6.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 5.1187 -5.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 5.4915 -4.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 4.0346 -4.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 3.9284 -7.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 5.2419 -6.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 4.0147 -5.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 2.6926 -5.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 2.3304 -7.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 3.5561 -7.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.3903 -7.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9975 2.1687 -5.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 0.1489 -6.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 0.8776 -5.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -1.3460 -5.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -1.0569 -5.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.3970 -4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 0.2956 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -1.8861 -3.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 -2.2726 -3.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 -0.5279 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 -0.6563 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 -2.8848 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -2.1105 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -3.8327 -1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -2.9892 -0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -5.1986 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 -5.4304 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 -3.8489 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3661 -3.5256 1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -6.1336 2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 -6.0722 1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8996 -4.3155 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -4.4983 3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -6.8624 4.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -6.5828 4.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -4.9566 6.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 -6.2259 6.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 -3.5516 5.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -5.1088 4.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1293 -5.8836 6.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6073 -4.1974 6.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 -3.1786 7.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -4.7852 8.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -2.4576 8.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.0925 8.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -3.0108 6.8662 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 1 0 16 17 1 0 17 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 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 25 41 1 0 41 42 1 0 42 43 2 0 42 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 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 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 17 15 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 24100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 32105 1 0 32106 1 0 33107 1 1 34108 1 0 35109 1 0 35110 1 0 39111 1 0 40112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 64153 1 0 65154 1 0 65155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 67160 1 0 67161 1 0 M END