HMDB0116471 RDKit 3D PGP(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -7.7775 4.3190 1.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7677 4.9895 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4077 5.4494 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7464 5.0101 -0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 4.0244 -1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3333 2.8549 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6709 2.5045 -2.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 3.3308 -4.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3353 2.4640 -5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8175 2.3012 -6.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6528 2.8660 -7.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 3.8133 -6.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 3.6587 -6.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7094 2.4935 -6.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 1.9340 -5.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 0.7741 -5.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7426 0.1448 -4.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -0.5186 -3.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -1.0618 -2.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 -1.7749 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.5868 -1.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 -1.5744 -0.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3852 -2.2583 0.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -1.7707 2.1461 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3739 -1.6939 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0584 -0.9806 1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6919 -0.8449 1.6616 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2409 0.4943 1.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -0.8999 3.3471 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5479 -2.0948 0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -2.7476 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -3.8576 -0.6223 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9996 -3.2571 -1.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1396 -4.8624 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9863 -5.8464 0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3696 -6.9921 1.1792 P 0 0 0 0 0 5 0 0 0 0 0 0 7.1559 -7.3870 2.0264 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 -8.4273 0.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5987 -6.4557 2.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 -2.5342 3.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -1.9551 4.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -0.6924 4.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 -2.6698 5.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 -3.8023 5.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1704 -3.5324 4.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.4732 4.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 -1.3799 4.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -1.1225 2.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 -0.9499 1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 0.1165 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 1.3518 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 1.6769 1.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 1.9389 1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 1.9166 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 3.2821 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 3.5249 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 2.4460 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 2.3981 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 3.4494 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 4.8486 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 5.6733 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 3.9203 2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0927 3.4624 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 5.0690 2.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4603 5.8690 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2054 4.2827 -0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9521 6.1891 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7306 5.4094 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4459 4.5633 -2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2295 3.5873 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2696 2.2663 -0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 1.6392 -2.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4415 4.1741 -4.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7862 3.7602 -4.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2662 1.9149 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 1.5640 -7.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 2.0099 -7.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0754 3.3327 -8.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 4.8305 -6.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 4.4891 -5.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1976 1.6728 -7.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 2.8373 -7.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6909 1.6653 -4.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 2.7201 -5.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4777 1.1217 -6.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1659 -0.0012 -6.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 0.8219 -4.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 -0.6693 -5.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 0.1157 -3.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -1.4100 -4.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7791 -0.2569 -2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -1.8124 -3.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 -2.1005 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 -3.3754 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 -0.7154 2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 -2.7237 2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -1.2268 3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 -0.8875 3.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 -3.2670 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6658 -2.0967 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 -4.3843 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7621 -2.3376 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -5.2781 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6747 -4.2815 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0593 -8.9515 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 -5.4925 2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4871 -1.9466 6.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -3.1008 5.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 -4.2556 5.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -4.6046 4.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 -4.5162 4.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 -3.5638 3.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -2.5798 5.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 -0.6081 4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 -0.4410 2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 -2.1100 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5997 -1.8447 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 0.0376 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 1.6064 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1381 2.2439 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4342 1.7492 2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 2.1871 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 1.1404 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 1.7051 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9272 4.1160 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 4.5569 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 2.6898 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 1.4417 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7074 1.4250 -0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 2.2106 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 3.4119 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1175 3.1703 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4285 4.9960 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 5.3155 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 6.5971 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 5.9332 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0037 5.0160 0.3049 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 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 24 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 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 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 32101 1 6 33102 1 0 34103 1 0 34104 1 0 38105 1 0 39106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 61137 1 0 M END