HMDB0262977 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/14:0) 112111 0 0 0 0 0 0 0 0999 V2000 16.2953 -0.9109 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7085 -1.1934 1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5506 -2.0993 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3324 -1.8341 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5348 -0.5918 0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2675 0.6056 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8437 1.4051 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6012 1.2080 -1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 2.4140 -1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5966 2.3989 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9471 1.2055 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6171 0.9732 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7666 0.7932 -2.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 -0.0482 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 -0.1742 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8018 0.6897 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 0.5200 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 1.2855 -2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.2916 -2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 -0.7377 -2.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.0897 -1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 1.0849 -1.5572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3975 -0.6808 -0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 -0.1625 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -0.1724 0.3555 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1398 0.2516 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5473 -0.5238 -2.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 -0.0227 -3.5395 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7978 0.5784 -4.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3021 1.0693 -3.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -1.3753 -4.4654 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5122 0.5887 1.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 0.0150 2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6472 -1.2139 2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1592 0.8489 3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0956 0.0553 3.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1975 -0.6518 3.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0377 0.3536 2.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1668 -0.2990 1.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1046 -1.0218 2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2496 -1.6843 2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0950 -0.6397 1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1949 -1.4225 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2860 -0.8348 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2399 -0.0570 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6260 1.2588 -1.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1807 1.4813 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0313 -1.6806 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8739 0.0494 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5260 -0.8602 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7165 -0.3165 1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5675 -1.8243 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 -2.2367 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9572 -3.1467 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5071 -1.8836 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6130 -2.7023 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 -0.5442 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5527 -0.7513 0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2016 0.8292 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4709 2.2890 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 1.2447 -2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1011 0.2552 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2286 3.3591 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0475 3.3724 -0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5206 0.2904 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6175 1.4195 0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0119 1.9311 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4658 0.1424 -2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3878 -0.7033 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -0.9733 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 1.4492 -1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -0.2700 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 1.9670 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1881 1.9347 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -0.2489 -3.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 0.7937 -3.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -1.3271 -2.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 -1.4421 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -0.7709 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 0.9106 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -1.2574 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 1.3209 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 0.2725 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9981 1.8667 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9824 -2.0050 -3.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6409 1.7145 2.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 1.2607 3.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 0.6992 4.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 -0.7052 4.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8514 -1.4825 2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8169 -1.1471 4.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3774 0.8396 1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3903 1.1453 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7726 -0.9650 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7477 0.5255 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4587 -0.3259 3.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4802 -1.8591 3.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9074 -2.1553 2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9149 -2.4134 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3592 0.2143 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3513 -0.3809 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6602 -2.0399 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7072 -2.2939 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9616 -0.2566 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0766 -1.6839 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6908 -0.7291 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2912 -0.0152 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8884 1.6845 -2.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1862 1.9728 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8273 1.7674 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8219 2.3508 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5771 0.5909 -1.6517 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 0 24 80 1 0 25 81 1 6 26 82 1 0 26 83 1 0 30 84 1 0 31 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 47112 1 0 M END