HMDB0265775 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/22:2(13Z,16Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -12.4994 2.2042 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2256 2.7775 -2.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4281 3.3767 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9412 2.3459 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0934 2.9820 1.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8046 3.4454 2.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2467 3.0356 3.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8430 2.0673 4.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1919 0.7893 4.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1423 0.2688 3.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2856 0.8252 2.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3407 -0.1828 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4182 0.3898 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4599 -0.5084 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 -1.9130 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7033 -2.1830 0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6235 -1.6907 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2719 -2.1010 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9614 -1.5723 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 -2.1282 1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -1.6700 0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -2.3202 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 -3.1255 2.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -2.0191 0.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1688 -2.6037 0.6004 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3045 -1.6834 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 -2.5262 1.1578 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -2.2011 1.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9261 -1.0091 1.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7377 -3.3048 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.9988 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4267 -3.3296 -0.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 -2.0382 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 -1.6978 -2.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9273 -2.5796 -3.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -2.3063 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3683 -1.4143 -5.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0809 -0.3958 -4.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7387 0.9265 -4.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2825 1.9775 -4.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0574 1.9683 -2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5816 3.0321 -2.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 3.1114 -0.7845 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3024 2.2457 -0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0608 4.4986 -0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 4.5133 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0269 4.0153 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8023 4.0600 3.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0576 3.5490 4.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -3.4740 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -4.4621 -0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 -5.4313 -2.0550 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3807 -6.7690 -2.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 -5.4981 -2.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -4.6005 -3.4609 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5812 1.1217 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5306 2.2428 -3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4019 2.6909 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9003 3.6149 -2.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4413 1.9965 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1811 4.2015 -0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4641 3.7885 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9423 2.0412 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2693 1.4885 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8295 3.8131 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5435 2.2233 2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2142 4.2049 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2506 3.5083 3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9520 2.5926 5.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9539 1.8884 4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7117 0.1360 5.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8304 -0.7769 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5158 1.7611 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2013 0.8377 3.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3894 -0.2279 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9774 -1.1345 2.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7925 1.3887 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4144 0.5059 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5336 -0.5435 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8676 -0.0868 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8458 -2.3355 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -2.4547 -1.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 -3.3095 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5509 -1.7698 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6187 -0.5836 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7446 -2.2007 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -1.7983 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -3.2149 -0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7943 -0.4588 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 -1.7598 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -3.2602 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4115 -1.8246 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -0.5947 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -2.0736 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -3.3295 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 -1.0933 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -0.9303 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3151 -4.0408 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -2.9209 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 -4.3529 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 -5.0231 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5548 -3.2426 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4037 -4.0699 -1.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0714 -1.2000 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9047 -0.6474 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 -2.4435 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -3.6819 -3.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 -2.9840 -5.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6470 -1.4086 -6.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1935 -0.5472 -4.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0976 -0.4287 -3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 0.9603 -5.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 2.8770 -4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2909 1.1153 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 3.9012 -2.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2696 2.7204 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 2.7617 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1157 4.8588 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8976 5.1840 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 3.8991 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5784 5.5669 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 4.5856 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1684 2.9388 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9744 3.3552 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6222 5.0870 3.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8726 2.5463 4.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8906 3.4876 3.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3344 4.2242 4.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 -2.9040 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -3.9577 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 -6.1800 -1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -4.2119 -3.2925 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 1 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 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 1 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 54131 1 0 55132 1 0 M END