HMDB0273764 RDKit 3D PGP(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,10E,14Z)-OH(12S)) 138137 0 0 0 0 0 0 0 0999 V2000 -1.9879 1.6864 7.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 2.1466 8.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 3.5949 8.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7495 4.5342 8.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 4.3125 8.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 5.1731 6.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4681 4.7450 5.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7643 3.3128 5.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1486 3.3249 4.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4539 3.0055 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4274 2.5659 2.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9039 1.2732 2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1775 1.1283 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0152 2.2349 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1393 1.8724 -1.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8569 3.1394 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 4.0159 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 5.3327 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5079 6.0633 -1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 5.3045 -1.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 5.0353 -2.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3766 4.8224 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 4.1272 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7068 3.5542 -0.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8250 2.9150 -1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 1.8805 -1.8511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 1.0955 -2.8949 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2335 2.1344 -3.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -0.1125 -2.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 0.4739 -4.1679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 -0.1908 -3.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.7783 -4.5131 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2771 0.2135 -5.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 -1.8534 -5.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3846 -2.9030 -4.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9119 -4.0890 -5.8143 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2431 -4.5726 -6.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -5.4160 -5.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -3.4872 -6.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 2.5359 0.5655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2796 2.4020 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 3.3414 2.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 1.1586 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3398 0.1057 1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7959 -1.2454 2.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -1.7491 3.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 -2.8370 2.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 -3.6755 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 -5.0813 1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -6.0648 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -5.8917 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -6.9662 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -6.7692 -0.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5552 -7.4145 0.7366 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -7.4805 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 -7.2054 -2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 -6.5840 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9229 -6.1078 -3.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 -6.7313 -5.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -6.3757 -6.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1819 -4.8872 -6.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -4.5850 -7.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 2.5901 7.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 1.3313 8.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3725 0.8789 6.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 1.6366 9.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 1.8364 8.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 3.8576 9.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 5.5610 8.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 4.6676 8.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 3.2781 7.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 6.2637 7.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4982 5.4580 4.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8113 2.7086 6.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9862 2.9267 4.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9828 3.6251 5.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4865 3.0349 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2352 3.3099 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 2.3142 3.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0343 0.4152 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 0.1268 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6108 3.1215 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0530 2.4444 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7108 1.2118 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 1.3752 -1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8303 3.5910 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4218 2.7728 -3.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 4.1584 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 3.4771 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 5.9782 -2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 5.1342 -3.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 7.0902 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 6.1042 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 3.3232 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 4.7909 -1.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 4.4032 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 2.4889 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 3.7121 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -0.6232 -1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2191 0.5513 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7192 -0.9795 -2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -1.1753 -3.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0962 -0.2181 -5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.4353 -6.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 -2.2565 -5.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9298 -6.1586 -5.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -2.8329 -6.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 0.8827 3.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 1.4149 2.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 0.4726 0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 0.0036 1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0637 -1.9122 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 -1.1140 2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -1.1486 3.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 -3.1405 3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -3.3367 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7971 -3.5921 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 -5.3017 2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -7.1117 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -4.9273 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -7.9587 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 -5.6914 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9321 -6.7059 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -7.3735 -1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -8.5917 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8459 -7.5249 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 -6.4360 -3.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 -6.2321 -3.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -4.9913 -4.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -6.4335 -5.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8286 -7.8570 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0401 -6.8914 -7.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -6.6820 -5.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 -4.3440 -5.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 -4.5765 -6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.4921 -7.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 -4.1453 -8.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -3.8959 -6.7306 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 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 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 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 1 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 0 31101 1 0 32102 1 1 33103 1 0 34104 1 0 34105 1 0 38106 1 0 39107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 50119 1 0 51120 1 0 52121 1 0 53122 1 6 54123 1 0 55124 1 0 55125 1 0 56126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 62138 1 0 M END