HMDB0269403 RDKit 3D PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 129128 0 0 0 0 0 0 0 0999 V2000 -1.3875 2.4846 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 3.2012 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 4.6254 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 5.6562 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 5.5302 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2062 -2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6372 5.8288 -3.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 4.5164 -4.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 3.4397 -3.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 2.7693 -3.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 3.0252 -3.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 1.8332 -4.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2218 0.5886 -3.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 -0.1872 -3.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0227 -0.6308 -3.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.3987 -2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 -0.5483 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -1.2659 -1.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.5511 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -2.5867 -1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 -3.3225 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -2.9509 -0.3264 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7198 -3.2908 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3048 -2.4892 -2.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 -2.9885 -4.0868 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5758 -3.2136 -3.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 -4.4746 -4.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1279 -1.8201 -5.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -1.9415 -6.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -0.8196 -7.2041 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1799 -0.8804 -8.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 -0.9306 -7.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 -2.1581 -8.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3275 -1.6294 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0901 -1.2806 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -2.2389 1.8599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 0.1038 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 0.5915 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 -0.2256 4.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -0.1634 4.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 0.3175 5.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 0.8707 6.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 0.1081 7.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6982 -0.5249 8.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 -0.6708 8.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -2.0776 8.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 -2.6435 7.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -1.9029 6.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.4876 5.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 -1.8406 4.1715 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4725 -0.4473 4.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -2.1074 3.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -1.3945 2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9705 -1.6077 2.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 -0.8830 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7853 -1.0704 0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 2.3666 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 1.4701 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 3.0382 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 2.7138 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 2.9105 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 4.8503 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 6.6819 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6702 4.5188 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 6.1117 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1272 7.3262 -2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 6.6284 -4.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 4.2649 -5.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 4.6679 -5.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 3.1028 -3.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9842 1.9812 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 3.9527 -4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 3.2109 -2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9508 2.2036 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3743 1.6962 -5.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -0.0889 -4.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0505 0.7996 -3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -1.2151 -2.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 0.1081 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 0.1865 -4.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 -1.3243 -4.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 -2.3073 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -1.7898 -3.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -0.1027 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 0.2810 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4701 -4.4043 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -3.3313 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 -3.6459 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5351 -4.3604 -1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8123 -3.1146 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -4.4761 -4.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.8978 -5.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -2.8977 -6.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.1346 -6.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 -0.0829 -8.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 -0.9164 -7.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.0923 -8.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 -2.7583 -8.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2118 0.8216 0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4652 0.1802 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 1.6202 3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 0.6099 2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3241 0.2302 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 -1.2797 3.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0945 -0.5529 3.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 0.3209 5.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 0.9481 6.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5381 1.9303 6.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 0.1292 8.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1582 -1.0380 9.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -0.1684 9.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9169 -0.1363 7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -2.7354 9.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -3.7350 7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 -0.8634 6.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 -3.5545 5.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -2.0995 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -0.2181 5.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 -3.1886 3.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 -1.6981 4.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 -1.6447 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 -0.2897 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 -1.2738 3.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -2.6980 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 -1.2707 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1093 0.1997 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 -1.2088 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -2.0279 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 -0.2223 0.2474 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 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 21 86 1 0 21 87 1 0 22 88 1 1 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 1 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 49116 1 0 50117 1 6 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 56129 1 0 M END