HMDB0282149 RDKit 3D PS(20:1(11Z)/20:3(5Z,11Z,14Z)-O(8,9)) 139139 0 0 0 0 0 0 0 0999 V2000 -4.6258 -0.2666 3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 -1.1665 4.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 -0.8900 4.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 0.3656 5.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 1.6455 4.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 2.7846 5.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 3.7577 5.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 3.8513 4.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 4.0295 4.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3317 3.2588 4.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3332 2.0059 3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9382 0.9451 4.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 0.6566 5.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -0.3909 4.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -1.4455 5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -1.9090 4.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6997 -1.6931 2.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9242 -0.9306 1.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -1.9801 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -1.3991 -0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.1370 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 0.9350 -0.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 0.0069 -2.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2396 1.2985 -2.5980 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8340 1.6488 -3.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 1.5012 -4.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3538 1.9283 -3.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 2.5547 -2.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 1.6515 -4.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 1.9316 -3.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 1.8552 -4.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 0.6701 -4.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2124 -0.5967 -4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3283 -0.4182 -3.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9557 -1.6044 -2.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2571 -2.6439 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 -2.2628 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 -3.5116 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -3.8324 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6769 -3.0290 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 -3.9392 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -4.2751 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 -5.2039 -3.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -4.6307 -3.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0131 -3.3541 -4.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3966 -2.8923 -5.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 -1.6272 -5.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7937 1.2908 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2103 1.0641 -1.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 1.0135 -1.1192 P 0 0 0 0 0 5 0 0 0 0 0 0 7.4485 0.2398 -2.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 0.1433 0.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6246 2.5065 -1.1185 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3473 3.2603 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 4.6155 -0.0559 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4765 4.3870 -0.1335 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 5.3292 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 5.6384 1.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4381 5.6571 1.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5292 0.2543 3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9541 0.3811 2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0958 -0.9309 2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 -2.2385 3.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6867 -1.1805 5.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 -1.7820 5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8674 -0.9023 3.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 0.3829 5.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 0.3000 6.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 1.6204 3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9645 1.6457 4.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2612 2.7520 6.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7543 4.6053 6.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1929 3.1297 3.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3249 4.8452 3.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 4.9276 5.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 3.5385 4.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 2.1811 2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 1.7441 2.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 1.0907 4.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 -0.7210 4.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.1464 6.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -2.3707 5.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -2.5741 4.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 -2.1673 2.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -0.1079 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -0.6515 2.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 -2.2551 0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1945 -2.7855 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 -2.1289 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8329 -1.3311 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 2.0379 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 1.1168 -4.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 2.7442 -4.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9562 0.6097 -4.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 2.2846 -5.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 1.2252 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 2.9541 -3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 2.1357 -3.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4388 2.7164 -4.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8164 0.9729 -5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1761 0.4346 -5.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 -1.0091 -3.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 -1.3164 -4.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1575 0.1840 -3.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 0.2606 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8434 -1.2815 -1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5947 -2.1222 -3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0567 -3.3864 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 -3.3067 -2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -1.8270 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -1.4825 -0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8874 -4.1690 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -4.8031 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -2.8580 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 -2.1241 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 -4.8538 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0897 -3.2992 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 -4.7329 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0779 -3.3775 -2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -6.1683 -2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -5.3319 -4.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8951 -4.3983 -2.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 -5.4306 -4.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 -3.4714 -5.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -2.5432 -3.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 -2.6597 -4.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8039 -3.7006 -5.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 -0.8491 -5.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4369 -1.7777 -6.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 -1.2037 -5.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 2.2733 -2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1935 0.4753 -3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7893 0.7293 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2538 3.5219 -0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 2.7376 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6806 5.1768 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7136 3.3690 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8114 4.7119 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 6.3477 0.9473 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 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 2 0 27 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 2 0 57 59 1 0 14 12 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 1 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 52133 1 0 54134 1 0 54135 1 0 55136 1 6 56137 1 0 56138 1 0 59139 1 0 M END