HMDB0266383 RDKit 3D PA(24:1(15Z)/20:3(8Z,11Z,14Z)-O(5,6)) 140140 0 0 0 0 0 0 0 0999 V2000 1.3258 -3.0842 5.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4499 -4.2982 6.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2659 -4.6669 4.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -5.0003 3.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -6.1951 4.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -6.4088 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7644 -6.3753 2.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -6.1339 4.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -4.9885 4.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6447 -3.9669 3.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -3.6993 2.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 -2.3771 2.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7387 -1.3992 1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.4179 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 -1.1157 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5533 -1.9661 -1.3453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -2.0343 -1.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 -1.3908 -3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5836 -2.3204 -4.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -3.2572 -4.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 -2.5884 -5.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -1.3399 -5.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -3.2802 -5.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -2.4987 -6.2986 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9136 -2.7601 -5.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.8952 -5.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -1.9322 -5.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -2.7685 -4.4307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -1.0468 -5.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -0.1424 -4.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 0.8115 -4.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 1.6326 -3.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 2.5774 -3.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1988 3.2863 -2.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9402 4.0723 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 4.6888 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 5.6275 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 6.1255 1.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 6.8711 1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 7.2828 3.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 6.0496 3.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 6.2851 5.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 5.7765 6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 5.0077 5.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 3.5868 5.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 2.7382 4.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6614 2.7607 3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.8955 2.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 2.0647 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7184 1.2296 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.2412 0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 -3.0229 -7.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -2.8992 -8.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -3.5258 -10.0277 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7843 -4.6461 -10.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -4.2526 -10.0296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 -2.3286 -11.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 -2.1973 6.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -3.1289 6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -2.9426 5.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -4.2035 6.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 -5.1435 6.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 -3.7475 4.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0028 -5.4812 5.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0527 -5.1968 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 -4.0905 3.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -7.0739 4.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 -6.1571 4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 -6.6123 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 -6.6109 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -6.2641 5.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 -7.1024 4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9508 -5.0040 5.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3824 -3.1999 3.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 -4.4556 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9241 -3.6327 1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -2.3211 3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -0.4312 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 -0.4908 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5879 -2.2216 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -0.0209 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 -2.9938 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0496 -0.6658 -2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -0.7296 -3.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 -1.6992 -5.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 -2.9171 -3.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0134 -3.8531 -5.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 -4.0200 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -1.4351 -6.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 -3.7945 -5.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -2.6343 -4.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 -0.5122 -6.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3805 -1.7435 -5.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 0.3797 -4.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0392 -0.8147 -3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 1.5195 -5.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 0.3023 -4.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 2.2477 -3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 1.0309 -2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 3.3878 -4.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 2.1024 -3.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 3.9144 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 2.5168 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 3.3424 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 4.8092 -2.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 5.2278 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 3.8520 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0274 5.1489 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0157 6.5101 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8519 6.7997 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 5.2566 1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8337 6.3255 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 7.8359 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6749 7.8548 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 7.9607 3.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 5.1925 3.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7194 5.7126 3.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 6.8717 5.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2098 5.9112 7.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 5.4959 5.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 5.1247 4.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 3.5830 6.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 3.1519 5.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 1.7035 5.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6759 3.0615 5.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 2.4059 3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 3.8001 3.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 2.2541 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 0.8317 2.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 3.1353 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2421 1.8377 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 1.4449 -0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 1.5538 0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 -0.7447 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 -0.6543 0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1859 -0.4981 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 -4.0594 -7.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 -2.4233 -8.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -3.6212 -10.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -2.7263 -12.0434 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 1 0 16 17 1 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 2 0 27 29 1 0 29 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 1 0 42 43 2 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 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 17 15 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 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 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 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 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 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 56139 1 0 57140 1 0 M END