HMDB0262512 RDKit 3D PE(20:4(8Z,11Z,14Z,17Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 130129 0 0 0 0 0 0 0 0999 V2000 -17.2208 1.4247 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1426 0.4708 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1305 -0.6790 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0961 -1.0338 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7841 -0.3518 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7856 -1.3513 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0523 -1.2296 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0989 -0.0868 -1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4283 -0.6873 -2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6856 -0.6169 -3.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4021 0.0829 -3.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3559 -0.9139 -3.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3647 -1.1678 -2.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0987 -0.5911 -1.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7386 0.1377 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6829 0.6867 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 1.4507 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 0.6841 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -0.5007 1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -1.2214 1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 -2.2638 1.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -0.7767 0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -1.4924 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 -1.3985 1.8327 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0430 0.0675 2.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9084 0.6775 1.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 2.3059 1.8361 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8481 2.3906 3.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 2.8252 2.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 3.1947 0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 4.0578 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4408 4.8872 -1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 5.6594 -0.4855 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.0239 2.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 -3.0046 2.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 -3.3293 3.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -3.7011 3.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -3.2523 2.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 -1.7746 2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2548 -1.5172 1.9469 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2502 -1.9348 0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7263 -0.0934 2.1515 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0620 0.8171 1.3565 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1618 0.0134 2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9619 0.1467 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4873 0.1991 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3311 0.3390 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7491 0.4557 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6365 0.5747 -1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0674 0.6951 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0184 0.8028 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4030 0.9266 -2.1009 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5025 2.1757 -1.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8220 -0.0951 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2089 0.1934 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2419 -0.5848 -0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1503 -1.9524 -1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9929 -2.1579 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0832 2.3879 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2295 0.9944 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0944 1.5867 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2002 1.0047 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4284 0.1416 -1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0613 -1.2925 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1726 -1.9026 2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5435 -0.1959 2.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7581 0.6067 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6960 -2.2344 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3367 -2.0697 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1650 0.4576 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9082 0.5907 -0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3769 -1.2209 -2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0151 -1.0909 -4.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1087 0.6455 -2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4496 0.7554 -4.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3933 -1.4590 -4.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6187 -1.9316 -3.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0476 -1.3664 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8329 0.1274 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6522 0.9215 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -0.6532 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5559 1.4123 -0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9643 -0.0968 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6399 1.8915 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4031 2.3156 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 0.4399 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 1.3683 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 -1.2528 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4286 -0.1619 2.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 -2.5635 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -1.0178 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8776 -1.8580 2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 0.5705 1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2448 0.1979 3.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 3.6917 2.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 3.4510 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 4.6909 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 4.2347 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 5.6173 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 5.2417 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3861 5.6236 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -4.8177 3.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 -3.5153 4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -3.7841 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 -3.4780 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 -1.1395 2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -1.4907 3.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -2.1581 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -1.6891 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 0.1410 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 1.7072 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -0.0225 3.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 0.2175 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4015 0.1472 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 0.3653 -2.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1933 0.4560 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 0.5752 -2.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3563 0.6986 -0.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7566 0.7948 -3.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1541 0.9605 -2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0550 1.9903 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6859 -1.1133 -1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2153 0.1391 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4148 1.2064 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2587 -0.2501 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6355 -2.6364 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1368 -2.3501 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2792 -1.1853 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9373 -2.7077 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4567 -2.7427 -3.3644 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 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 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 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 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 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 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 1 41109 1 0 42110 1 1 43111 1 0 44112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 52120 1 6 53121 1 0 54122 1 0 54123 1 0 55124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 58130 1 0 M END