HMDB0269501 RDKit 3D PG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 139138 0 0 0 0 0 0 0 0999 V2000 5.6806 2.5143 4.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 2.2797 4.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 2.0881 6.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 1.8382 6.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 1.6495 7.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 1.4126 7.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 0.1687 6.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 -0.0996 6.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 1.0064 6.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 0.9256 5.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 -0.2831 4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 -0.0991 2.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 0.1560 2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -0.9972 2.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 -0.6239 2.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4727 -1.7700 2.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 -1.6106 2.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3901 -1.4012 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -2.4569 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 -2.7005 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -1.7699 -0.6033 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 -3.8175 0.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -4.1797 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -4.2814 -1.2907 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0873 -5.3956 -2.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -6.4773 -1.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -7.8316 -1.8534 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2002 -7.6806 -1.4641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -7.9074 -3.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1884 -9.2324 -1.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0817 -9.0819 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -10.3526 0.1341 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7861 -10.2387 0.6946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 -11.5761 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 -12.6655 0.1415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 -3.1216 -2.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1094 -2.6635 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -3.3632 -2.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.5095 -3.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 -0.2086 -2.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 0.1033 -1.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 1.3807 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 2.4059 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 2.6341 -2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 1.6622 -3.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 1.6625 -4.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 2.7728 -5.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2073 2.2855 -6.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 2.7313 -6.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 3.7382 -5.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 4.9534 -6.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 6.1538 -5.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 6.4782 -4.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 7.0632 -5.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 8.3455 -6.2332 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6723 8.3049 -7.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5313 8.8497 -6.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 10.1653 -7.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 1.9297 5.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 2.1281 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 3.5837 5.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 3.0931 4.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 1.3563 4.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 1.2249 6.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.9751 6.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5874 2.6511 5.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 0.9064 5.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 0.7281 7.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 2.4880 8.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 1.3467 8.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 2.2707 6.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0977 0.2921 5.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -0.7065 7.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -1.0264 6.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.3076 7.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 1.9938 6.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 1.8514 4.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 -0.4141 4.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 -1.2229 4.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4997 -1.0513 2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 0.6844 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6199 0.2663 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 1.1202 2.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2049 -1.8717 2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 -1.2891 3.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -0.2777 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 0.2148 3.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 -1.7934 4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 -2.7655 2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 -2.5816 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -0.8638 3.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 -1.2874 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.3828 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 -3.4132 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -2.0765 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -3.5881 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -5.2230 0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8565 -4.6997 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -5.0662 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -5.5849 -2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 -7.9679 -3.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1765 -8.2710 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 -8.9047 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 -10.5581 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7807 -9.3541 1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 -11.7653 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -11.5985 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5068 -12.4826 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5138 -1.4124 -4.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 -1.7662 -4.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 -0.1799 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6611 0.5889 -3.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 0.1173 -2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -0.7526 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 1.4526 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0399 3.2946 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2342 3.5680 -2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 3.1056 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5108 0.7692 -2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7435 0.8111 -4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 3.7050 -4.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 3.0311 -5.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 1.5155 -6.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 2.3247 -7.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 3.3042 -4.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 3.9588 -4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 4.7972 -6.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3737 6.9459 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3027 7.3326 -4.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 5.7248 -4.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 7.2293 -4.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8903 6.3534 -6.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 9.1574 -5.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 9.0468 -7.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 8.1064 -7.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 8.9736 -5.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4587 10.0889 -8.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 10.3373 -8.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 11.0194 -6.8114 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 1 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 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 32 34 1 0 34 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 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 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 1 0 29101 1 0 31102 1 0 31103 1 0 32104 1 1 33105 1 0 34106 1 0 34107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 1 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 58139 1 0 M END