HMDB0266157 RDKit 3D PA(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(10,12,15)-OH(9)) 122121 0 0 0 0 0 0 0 0999 V2000 -11.8068 -4.2960 3.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4839 -3.9930 2.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1966 -2.7730 1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5742 -1.6552 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1507 -1.5321 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5156 -1.2708 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0319 -1.1486 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3981 -1.2399 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1303 -0.1496 -2.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7277 1.0448 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4560 1.7311 -2.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7467 2.9556 -1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2513 3.2673 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2878 2.4575 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0589 3.2814 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8874 2.9353 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 1.6912 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 0.8550 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2605 1.5399 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 1.8774 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2666 2.5309 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3633 1.5994 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 1.9064 0.9126 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 0.3771 -0.7568 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.4928 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 0.0528 0.1692 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9516 0.2631 -1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 1.2145 -1.9533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1321 1.4326 -3.4128 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5404 2.5685 -4.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 1.7837 -3.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 0.0342 -4.3596 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 -0.9341 0.8796 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5957 -0.5690 2.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 0.6562 2.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 -1.5034 2.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 -1.4031 2.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -1.6427 1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 -0.7431 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 0.6879 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 0.8234 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4563 2.3060 1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8828 2.5543 2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1955 1.8411 3.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8079 2.2308 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3182 1.0209 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 0.6131 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7062 -0.6019 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6302 -1.0601 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9375 -1.5184 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3482 -2.7577 -0.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6422 -3.2096 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6142 -3.6884 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0800 -3.8388 4.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8058 -3.9016 3.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8379 -5.3859 3.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9899 -4.8326 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4401 -4.0748 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2955 -2.7073 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2000 -0.7737 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8570 -0.6306 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5657 -2.3497 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3795 -1.1482 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2867 -0.9831 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4818 -2.1090 -2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0386 -1.7044 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2212 -0.4116 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5182 1.7008 -3.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9893 2.0702 -3.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6789 1.1959 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4711 3.6684 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5542 4.2296 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1382 1.4423 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7055 2.3900 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1736 4.2301 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 3.6066 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1652 1.9851 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4962 1.0882 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 0.6330 1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4840 -0.1246 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 2.4374 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.8725 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 2.6149 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4812 0.9664 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8456 2.8730 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 3.4349 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -1.4683 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 -0.6937 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 0.9935 0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 0.6688 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9981 -0.6778 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 1.8227 -3.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.2726 -5.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -2.5703 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -1.3605 3.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 -2.1476 3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -0.3983 3.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4474 -2.7227 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7096 -1.6678 2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 -0.7736 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 -1.0620 -0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 1.0759 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5949 1.2867 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 0.2149 2.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 0.5588 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 2.8713 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7376 2.5963 2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 3.6402 2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0645 2.1339 3.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0804 2.9563 0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0405 0.3134 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5006 1.3457 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4097 -1.3027 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1539 -1.9161 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 -0.2764 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5522 -0.8432 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7798 -3.4978 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1344 -2.3538 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4694 -4.0167 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6251 -3.2546 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2514 -3.3620 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6706 -4.7994 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 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 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 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 25 87 1 0 25 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 32 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 47112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 53122 1 0 M END