HMDB0266172 RDKit 3D PA(20:3(5Z,8Z,14Z)-O(11S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 124124 0 0 0 0 0 0 0 0999 V2000 -17.1317 0.9693 2.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6282 1.1116 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0362 -0.2388 2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1055 -0.6052 2.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5277 0.2867 1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8065 -0.3381 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9413 -0.7148 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4812 -0.5524 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7930 -1.8473 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0446 -2.3099 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7477 -1.6153 1.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 -1.3822 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7659 -0.1757 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4653 1.0941 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3912 2.0880 0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8136 2.0818 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 1.0390 -1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6865 1.5631 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 1.1540 -1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2206 -0.0066 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -1.0482 -1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 -0.5057 -2.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 0.2189 -3.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -0.7270 -1.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 -0.1215 -2.1604 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1251 -1.0846 -2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -1.7894 -1.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -2.7896 -2.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -2.9605 -3.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -3.5617 -1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 -2.8875 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7105 -2.3254 -1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -1.1687 -2.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 -0.0456 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 0.3087 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 0.8511 -2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 0.3872 -2.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0998 -0.7490 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -1.6891 -0.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4191 -2.7898 -0.3212 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7304 -1.9886 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 -1.2469 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0449 -1.1975 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7611 -0.1307 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2392 1.2281 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 1.9497 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 2.0304 1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2217 2.7747 2.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5512 4.1372 2.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8265 0.8764 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 0.1791 -0.1077 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 1.0682 1.0549 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3187 0.2806 1.4288 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 2.5909 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 1.1968 2.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5077 1.9607 2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5832 0.5651 3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2262 0.2478 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2578 1.8149 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5090 1.5814 3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4024 -0.9851 3.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6782 -1.6124 2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4487 0.3479 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9136 1.3136 1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8879 -0.4971 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3137 -1.1830 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1305 -0.0178 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2391 0.0354 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9060 -2.5060 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5478 -3.3034 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0427 -2.3186 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3232 -0.7263 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5970 -2.2547 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6484 -0.1667 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1179 1.5810 2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5542 0.9012 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9653 3.0684 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9317 3.0416 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5294 0.7702 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9783 0.1252 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7254 2.4591 -2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 1.7234 -1.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 0.3096 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1441 -0.4519 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -1.8616 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0905 -1.4938 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 0.4742 -3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6755 -1.7765 -3.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -0.5465 -3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7946 -3.9032 -0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -4.5359 -1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -1.9768 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -3.5117 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5497 -2.1172 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 -3.1403 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 -1.2008 -2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 0.7916 -2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 1.2097 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -0.4299 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 1.7982 -2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9728 1.0427 -2.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0730 -0.3560 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5501 -1.3686 -2.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 -2.3511 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9219 -2.6310 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6133 -1.8340 2.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1697 -0.2446 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5605 -2.1676 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8075 -0.2393 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2033 1.3484 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 1.8022 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0428 1.2750 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6841 2.9420 2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 2.6232 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 1.0239 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2937 2.8756 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1068 2.1774 3.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8385 4.0980 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3718 4.8840 3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0439 4.4281 1.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 1.6392 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6184 1.3991 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3955 2.8248 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 0.3335 2.9875 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 34 35 1 0 35 36 1 0 36 37 2 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 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 41 39 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 6 26 88 1 0 26 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 54123 1 0 55124 1 0 M END