HMDB0265080 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/20:3(8Z,11Z,14Z)) 122121 0 0 0 0 0 0 0 0999 V2000 -16.4682 2.4736 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4441 2.1233 -0.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0170 2.1928 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8348 1.2267 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4122 1.2672 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4866 0.9069 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6907 -0.1099 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5472 -1.0705 1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8621 -2.4297 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9718 -3.3725 0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5844 -3.2309 1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6482 -3.4603 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8358 -2.5155 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6926 -1.1736 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2331 -0.9769 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0997 0.3659 1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5122 1.4807 0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8752 1.8586 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5112 2.3575 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 1.4965 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 0.3121 -0.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 2.1117 -0.4021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 1.4317 -0.1348 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8137 1.9511 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0577 1.3682 1.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3679 0.0480 1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 -0.8011 1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 -0.3533 1.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 -1.7597 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -1.9246 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5612 -0.9189 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 -1.1863 -2.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 -2.4493 -2.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1362 -2.9825 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 -2.4523 -2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 -1.1776 -1.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 -0.1139 -2.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 0.4414 -1.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5324 0.0902 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5946 0.7251 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1405 0.4220 1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6526 -0.4755 2.3563 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2889 1.2046 2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5856 0.8435 1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0031 -0.5777 1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2909 -0.7719 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3990 0.1301 1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9816 1.4562 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 0.8323 -2.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 0.8467 -3.8122 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5664 0.0777 -4.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 2.4575 -4.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 0.1641 -3.5481 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2729 3.0665 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8876 1.5545 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0334 3.0958 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5620 2.8485 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6458 1.1105 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8114 3.2592 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3474 1.9460 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0844 0.2188 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5291 1.5142 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3353 0.6478 2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2577 2.3416 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4603 1.5456 -0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0363 -0.2689 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3321 -0.9118 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6039 -1.0058 1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8910 -2.5908 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2928 -4.3604 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3318 -2.3977 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3932 -4.1525 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6807 -4.4167 -0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1803 -2.7408 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3999 -0.8814 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8329 -0.4542 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0063 -1.7433 1.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 -1.1234 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8221 0.3415 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 0.4556 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 1.3319 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5227 2.4380 1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 2.6178 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0317 0.9815 -1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 2.6654 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 3.3620 -0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 0.3431 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 3.0553 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 1.8462 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 0.4236 1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 -0.2174 2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 -1.9345 1.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -2.4294 1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9358 -2.9593 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 -1.6956 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 0.1577 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 -0.2366 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -2.4763 -3.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 -3.2490 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 -3.9840 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 -3.0316 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 -1.5141 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3548 -0.8402 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7264 0.2122 -3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5923 1.2381 -2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1358 -0.6571 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0400 1.4993 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4023 1.0783 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1454 2.3072 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5510 1.1507 0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3744 1.4902 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2784 -1.3074 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2770 -0.7874 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6512 -1.8244 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 -0.4634 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3386 -0.1081 0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5730 0.0838 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1922 1.1945 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 2.4753 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8967 0.8295 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.4579 -5.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -0.8015 -3.8224 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 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 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 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 1 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 38105 1 0 39106 1 0 40107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 52121 1 0 53122 1 0 M END