HMDB0289491 RDKit 3D PC(P-16:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 132131 0 0 0 0 0 0 0 0999 V2000 5.1351 -3.5931 1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 -2.8923 3.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0327 -3.5794 4.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -2.9589 5.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 -1.5089 5.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -1.3956 5.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6738 -0.7527 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0064 0.0703 3.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 0.3647 2.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 0.0805 1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 -0.6240 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 0.1992 -0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 0.5413 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8921 0.1333 -0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 0.5178 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5855 0.1935 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 1.4406 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 -0.5567 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 -0.8677 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 0.2443 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 1.2062 1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 2.1868 1.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 1.0417 2.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 1.9418 3.4839 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3929 2.6129 3.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 3.2993 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3267 3.9853 1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 4.5732 0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 5.3143 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 4.7834 -1.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 4.7624 -2.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 4.2003 -3.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 4.1643 -4.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0705 3.6162 -6.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 2.2104 -6.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 1.2455 -5.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 1.1747 -6.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 0.7187 -8.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5854 -0.6355 -7.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 -1.0695 -9.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 -0.1290 -9.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.5909 -11.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 1.3127 4.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 0.2988 5.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -0.3974 6.5705 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7232 0.5330 7.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 -0.9212 6.7317 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1049 -1.7785 6.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 -2.7403 5.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 -3.9896 5.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1961 -5.0616 5.1191 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2777 -4.6922 4.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 -6.2192 5.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 -5.4628 4.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 -3.3563 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -3.3122 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2338 -4.6983 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -1.8359 3.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 -3.0901 3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 -4.6849 4.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.5796 6.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -0.9992 4.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -1.1269 6.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8874 -1.9736 6.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 -0.8495 4.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 -0.1916 2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 1.1176 3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 0.9440 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 0.3784 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 -1.4735 0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3799 -1.1319 0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 0.5094 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 1.1724 -2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 -0.4719 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 1.1251 -2.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1254 -0.2982 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4029 1.8874 -1.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 0.0730 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2436 -1.5407 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -1.5999 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 -1.4999 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 -0.2630 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 0.7637 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 2.7392 3.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 3.2702 4.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6796 1.7775 3.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 4.0783 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1538 4.4906 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 5.2730 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 6.3969 -0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0129 3.8119 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3062 5.5113 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 4.0477 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 5.7406 -2.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 4.9030 -3.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 3.1896 -3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 3.6351 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 5.2170 -5.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 3.6068 -6.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 4.3004 -6.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 2.1212 -5.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 1.8854 -6.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 1.6565 -4.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9217 0.2712 -5.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 0.4541 -6.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 2.1467 -6.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 0.6662 -8.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 1.4855 -8.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3628 -0.7061 -7.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1741 -1.4174 -7.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5452 -2.1008 -9.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2885 -1.1385 -10.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 -0.0627 -9.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 0.8891 -10.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 -0.7893 -11.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -1.5059 -10.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 0.1919 -11.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 0.9343 5.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 2.0937 5.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 -2.9305 5.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -2.3303 4.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -3.7424 5.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 -4.3454 7.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4674 -5.5688 3.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -3.8883 3.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2148 -4.4633 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5289 -7.1528 5.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -6.1524 6.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7513 -6.2650 6.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -4.8615 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 -6.5139 3.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -5.5168 4.8738 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 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 2 0 28 29 1 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 1 25 85 1 0 25 86 1 0 27 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 52124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M CHG 2 47 -1 51 1 M END