HMDB0283245 RDKit 3D PS(18:1(12Z)-O(9S,10R)/22:4(7Z,10Z,13Z,16Z)) 137137 0 0 0 0 0 0 0 0999 V2000 8.2825 -6.5160 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -5.6602 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1732 -5.3258 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -4.5913 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 -4.3297 2.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -3.6005 3.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3649 -4.0318 4.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -5.2611 4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 -5.1293 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 -5.3500 6.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -5.7309 4.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4876 -4.9974 5.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -4.1279 4.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 -3.4851 3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 -2.0035 3.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -1.1029 3.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5223 -1.2767 2.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 -0.5276 1.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -0.5459 1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4533 0.0866 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 1.5008 -0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7193 1.8802 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 2.9419 0.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5881 1.2353 -0.6686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 1.7971 -0.3764 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4407 0.9494 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.1655 0.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 -1.3769 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 -1.6679 -0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -2.3419 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1299 -1.7146 -1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 -1.5772 -2.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.8387 -3.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 0.5901 -3.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 1.4372 -4.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 1.0493 -4.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 1.9920 -4.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3513 1.6848 -4.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8492 2.9833 -4.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 3.5988 -3.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7523 2.7095 -2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9529 2.9060 -1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9247 3.9571 -2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2418 4.8114 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2576 5.8800 -1.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5974 6.7457 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1562 5.9353 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 2.3041 -1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 3.2796 -2.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9267 3.9462 -3.5875 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4726 3.4511 -3.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 5.6472 -3.5041 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 3.6222 -4.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 2.5173 -5.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.0817 -6.7463 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6102 1.7357 -6.3907 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 3.0581 -7.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 3.4620 -8.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0495 3.5283 -8.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0444 -7.5695 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0402 -6.4025 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 -6.1244 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5358 -6.2455 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 -4.7025 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 -6.2266 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 -4.6492 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1570 -3.5708 0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6367 -5.1029 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -5.3309 2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 -3.7184 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8379 -2.6432 3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 -3.4140 5.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 -6.0215 5.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -5.8437 4.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 -4.8184 7.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -5.2319 7.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5022 -6.8160 5.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 -5.6611 3.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -5.3261 6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 -3.7550 4.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 -3.7180 2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 -3.7339 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -1.6800 3.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8199 -0.0241 3.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 -0.7048 3.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 -2.2939 2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 0.5296 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1021 -0.9070 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -1.5594 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 0.0521 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 -0.0468 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 -0.5056 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 2.1637 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 1.7695 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5151 2.7492 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 1.6697 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9814 0.9090 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -2.4230 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -3.2994 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 -0.7827 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 -2.3725 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 -2.6021 -3.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 -1.1239 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 -0.8248 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5254 -1.3774 -3.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 0.6673 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 1.0892 -3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 2.4810 -3.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 1.5050 -5.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1621 0.0465 -4.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4762 0.8735 -3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5546 1.9651 -5.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1744 3.6594 -5.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2713 4.1334 -2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8930 4.4617 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1263 1.8791 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2883 2.1865 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6920 4.6503 -2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9210 3.4731 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2947 5.3119 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6466 4.1433 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1731 5.3916 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8590 6.5144 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8045 7.4381 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4554 7.4013 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3904 6.6083 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0825 5.4148 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3985 5.1964 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4901 1.4928 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 2.8370 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 5.9535 -3.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 2.7897 -5.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 1.6609 -4.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 1.1239 -7.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 0.9570 -5.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 1.4117 -7.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 3.5035 -9.3852 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 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 39 37 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 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 52131 1 0 54132 1 0 54133 1 0 55134 1 6 56135 1 0 56136 1 0 59137 1 0 M END