HMDB0264665 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:0) 128127 0 0 0 0 0 0 0 0999 V2000 -5.2266 -7.0194 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6882 -6.3660 -3.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 -6.7784 -3.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6988 -6.1542 -4.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6973 -4.6476 -4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -4.1479 -5.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -2.6277 -5.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4298 -2.0218 -5.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 -0.5271 -5.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 0.0156 -4.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4527 1.5159 -4.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 2.2159 -3.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 1.8417 -2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 2.4502 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 2.4331 -1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 3.2455 -1.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 3.3763 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 2.3418 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 1.1867 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 0.0262 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6644 -0.7778 -1.7552 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 -0.3989 0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 -1.5866 0.1454 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4405 -1.2903 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -0.5031 0.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 -0.7363 1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 -1.8207 2.3853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 0.2319 2.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 -0.1109 3.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2555 -0.2651 5.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.2744 5.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -1.0423 5.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.3210 5.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 0.7446 4.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 1.0559 4.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 1.0408 5.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9202 2.2353 6.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8067 3.4530 6.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1255 3.8941 4.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 5.2282 4.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 5.7310 3.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4341 6.9713 3.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 4.8804 2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0308 5.6834 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 6.5944 1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 7.3651 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 8.2492 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 -2.5771 1.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5471 -3.7529 1.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -4.8156 2.3918 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8920 -4.1354 3.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 -6.1669 1.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 -5.3178 3.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8639 -6.3110 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 -7.3540 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8363 -7.8997 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2916 -6.6738 -3.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 -5.2647 -2.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -6.3560 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 -7.8674 -3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 -6.5052 -4.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 -6.4645 -5.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 -4.3015 -4.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 -4.2123 -3.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -4.4956 -5.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6695 -4.5826 -6.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 -2.3428 -6.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4331 -2.3357 -5.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7975 -2.3072 -4.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 -2.4292 -6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 -0.2009 -6.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 -0.1393 -5.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -0.3533 -3.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3953 -0.3387 -4.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 1.7738 -5.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 1.8879 -4.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 3.2860 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 1.7614 -4.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7567 0.7103 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0884 1.9449 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 2.0963 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 3.5699 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 2.6845 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3927 1.3592 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 4.3220 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 3.0338 -3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7821 4.2488 -2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 3.9637 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5305 1.9357 -2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 2.9042 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 1.5222 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 0.7948 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 -2.0870 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -0.8036 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -2.2746 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 0.3507 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 1.2463 2.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8383 -0.9968 3.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 0.7351 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9858 0.7252 5.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9737 -0.6599 5.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 -2.3539 4.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 -1.8799 5.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 0.3963 6.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.0730 5.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 0.7946 3.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 1.3244 3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 0.2608 5.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 0.4997 6.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 2.0503 7.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2974 4.2066 6.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 3.3380 4.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 5.8778 5.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 4.2060 2.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 4.2098 1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 6.3502 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 5.0317 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 5.9342 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 7.2442 2.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 6.6409 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 7.9187 0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9363 8.1425 2.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 9.3209 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 8.0456 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 -2.9100 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.1340 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -6.7763 1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -6.0689 2.7060 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 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 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 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 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 53128 1 0 M END