HMDB0264042 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)+=O(15)/18:2(9Z,12Z)) 118117 0 0 0 0 0 0 0 0999 V2000 -16.1485 0.7370 -2.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7123 0.9949 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9790 0.1834 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5284 0.5663 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 -0.2267 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8445 -1.6620 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8683 -2.4611 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4517 -2.2182 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8719 -0.9068 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0130 -0.4854 1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5303 -1.3356 2.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0133 -1.5304 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2991 -0.2189 2.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 -0.3326 2.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2001 -0.9624 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4826 -0.2594 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 1.1414 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 1.3520 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 2.0498 1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 0.8488 -0.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2314 1.1506 -0.4329 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6792 1.9167 -1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 2.3045 -1.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 1.5405 -1.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 0.3113 -1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1139 2.1430 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 1.0624 -2.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 1.6872 -2.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 2.3743 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9141 2.0652 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8828 1.0053 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2511 1.5356 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9779 1.4603 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5879 0.8603 -2.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2647 -0.2766 -3.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2496 -0.9905 -3.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9082 -0.7673 -1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9348 -1.5714 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 -1.3791 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2759 -0.4719 0.5075 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7358 -2.2670 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0500 -1.5845 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1851 -0.3366 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0906 -0.6693 2.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2236 0.5840 2.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 -0.0840 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 -0.5561 1.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -1.9741 1.6949 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3906 -3.0201 0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 -2.5301 3.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -1.6639 2.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6424 -0.2402 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9840 0.7270 -3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3991 1.5251 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5994 2.0734 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8062 0.7951 -1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1054 -0.8898 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4509 0.4257 0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1466 0.3568 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4456 1.6483 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8015 0.2449 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4138 -0.0487 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8616 -2.1094 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1574 -3.5646 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8668 -2.9926 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1792 -2.6117 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1288 -0.1757 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6713 0.5623 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6930 -0.7166 3.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0779 -2.2513 2.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7129 -1.9896 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6856 -2.1863 3.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6653 0.4590 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6180 0.2845 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 0.6898 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5457 -0.9811 3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4432 -2.0282 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 -0.9090 1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0154 -0.8301 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5876 -0.2527 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 1.8014 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 1.5166 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 1.8432 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 1.2712 -2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 2.8553 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 2.5844 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1729 2.9597 -2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 0.5294 -3.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 0.3020 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 0.9118 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 2.4627 -2.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 3.2031 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 2.6525 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 0.2955 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 0.3620 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6572 2.0282 0.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9697 1.9600 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 1.6660 -3.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4538 0.6964 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 -0.5980 -4.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5919 -1.8244 -3.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6624 -0.0362 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2271 -2.3433 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7545 -3.1819 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6185 -2.6904 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8764 -2.2777 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1034 -1.3031 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4314 0.4012 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2175 0.0859 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1763 -1.2138 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9596 -1.3120 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0092 0.2916 4.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3954 1.2527 2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2101 1.0455 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 -0.8572 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 0.1726 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -2.7704 3.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -0.7285 1.8857 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 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 21 83 1 1 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 36101 1 0 37102 1 0 38103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 50117 1 0 51118 1 0 M END