HMDB0268474 RDKit 3D PA(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-24:0) 142141 0 0 0 0 0 0 0 0999 V2000 -8.6357 2.5889 2.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2391 1.1122 2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7176 1.1335 2.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -0.2166 2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 -0.0536 2.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0462 0.5169 3.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 -0.0920 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 -1.3947 3.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -1.9165 4.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 -1.2611 5.7189 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1782 -1.5230 6.7409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -1.8326 6.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 -1.6630 5.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 -2.6351 4.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 -4.0560 4.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -4.7083 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -3.9838 2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 -4.5207 1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 -3.7870 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -4.3252 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 -3.6085 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -4.1599 -1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -2.3444 -1.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9279 -1.7619 -2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -0.3710 -2.7918 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0366 -0.4642 -4.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 0.7262 -4.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 0.5330 -6.2315 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9025 -0.9264 -6.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 1.2993 -7.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 1.2848 -6.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.4937 -1.8389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 1.5400 -1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 1.7024 -1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 2.4203 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 2.1584 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.9587 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 4.4196 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 5.2306 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 5.0585 -1.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 5.9984 -2.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 5.7020 -2.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 4.2723 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 4.0210 -3.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 2.6478 -3.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 1.5214 -3.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 0.2106 -3.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3735 -0.9614 -2.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -2.2466 -3.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 -3.4576 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 -3.7903 -1.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2334 -4.0291 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3409 -3.1192 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 -2.0064 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7433 -0.8648 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 0.0095 0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5194 -1.2129 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6126 2.9849 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8569 3.1133 3.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6472 2.7101 2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6906 0.6531 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5209 0.6340 3.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4088 1.5228 3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4357 1.8187 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 -0.7885 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3754 -0.8197 2.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 -1.0296 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4143 0.6728 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 1.5142 3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 0.4725 4.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9127 -1.9421 2.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -2.9076 4.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 -0.1557 5.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -1.3044 7.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 -1.2401 7.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -2.8494 6.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -0.6034 5.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6572 -2.3402 4.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 -4.2518 5.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -4.5679 5.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 -5.7678 3.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 -2.9063 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -5.6016 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 -4.3927 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 -3.9996 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 -2.7032 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7574 -5.4056 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -4.0004 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4029 -2.3645 -3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -1.7625 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7787 -0.0029 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 -0.9490 -4.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 -1.1562 -4.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9672 1.2074 -7.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 0.6518 -6.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3512 3.4707 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 2.2231 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 2.0186 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6536 1.0696 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 2.6249 0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 2.5737 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 4.7407 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 4.8369 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 5.0257 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 6.3203 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 5.3035 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 4.0679 -2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 5.7813 -3.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2674 7.0085 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 6.4124 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 5.8833 -1.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 3.5551 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 4.1337 -4.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 4.2420 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9697 4.7843 -4.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 2.5668 -4.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 2.5344 -5.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 1.5198 -3.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 1.5354 -2.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 0.2033 -3.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4773 0.1817 -4.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 -0.9621 -3.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -0.8655 -1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 -2.3101 -4.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 -2.1126 -3.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 -4.3793 -3.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -3.3799 -2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -3.0993 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 -4.7772 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 -4.5995 -0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 -4.9455 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 -2.8300 -2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -3.7828 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6084 -1.5665 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9406 -2.3906 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 -0.1406 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9666 0.9018 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 -0.5851 1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5715 0.2233 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5816 -0.7943 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 -2.3003 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 -0.7515 1.8540 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 1 0 M END