HMDB0266298 RDKit 3D PA(20:4(5E,8Z,12Z,14Z)-OH(11R)/24:0) 142141 0 0 0 0 0 0 0 0999 V2000 -18.3342 0.2268 2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8119 -1.0931 2.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7252 -1.6279 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3399 -2.9166 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0239 -2.9424 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0160 -1.9833 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1343 -1.0223 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0796 -0.7894 -0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2162 0.1935 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2476 1.1195 -1.8222 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.9333 2.2792 -1.3944 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8317 1.5640 -2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0501 0.3749 -2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9396 -0.0099 -2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3615 0.7311 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9753 1.2100 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3947 0.9676 -2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0267 1.4338 -2.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 2.2079 -1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 2.6967 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0491 1.5712 -2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 0.3725 -1.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 1.8159 -2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 1.0083 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 0.2537 -1.4641 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7768 -0.9693 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6266 -0.4824 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -1.6640 0.8061 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7041 -2.1140 -0.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 -1.0042 2.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -2.9559 1.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4432 0.9551 -0.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 0.9534 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 0.2736 -0.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 1.7052 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 1.3010 1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.0472 2.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 -1.2459 1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8213 -1.5417 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 -1.8896 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 -0.9262 2.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 -1.5787 2.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1329 -1.8267 1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 -2.5236 1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -1.8216 2.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6076 -0.4670 2.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6552 -0.3481 1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8614 -1.1952 1.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8889 -0.9647 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4224 -1.2727 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5334 -1.0509 -1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0200 0.3869 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1133 0.6677 -2.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5602 2.0927 -2.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1220 2.3464 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5782 3.8082 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4152 4.7214 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5715 0.1630 3.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6156 1.0588 2.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2941 0.5132 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7833 -1.7975 3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8096 -0.8874 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8551 -0.8274 0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7448 -1.7047 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1421 -3.2371 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3143 -3.6958 1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1693 -2.7672 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8734 -3.9778 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7953 -2.0671 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2596 -0.3743 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9103 -1.3914 0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4165 0.3313 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7632 0.7427 -2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4973 2.4876 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3926 2.2663 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0043 2.1507 -3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4411 -0.2362 -3.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4453 -0.9320 -2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9138 1.5924 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2000 0.0434 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4643 1.7724 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9179 0.3977 -3.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 0.5925 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0955 2.1251 -3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0514 3.0090 -1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2916 1.4826 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6513 3.2142 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 3.3699 -2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 1.5307 -3.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 0.2158 -3.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -0.2673 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -1.6693 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3853 -1.4647 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 0.0031 2.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -2.6876 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 2.7863 0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6324 1.7562 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5858 1.5189 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 2.0339 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 -0.0906 2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -0.0638 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7122 -1.4470 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 -2.1244 2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5005 -2.4680 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.7930 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -2.0681 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -2.9242 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 -0.6279 2.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1547 0.0138 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -2.5815 2.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5939 -1.0538 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3861 -0.8655 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7694 -2.4884 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0064 -2.7542 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 -3.5110 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3802 -1.7543 3.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8727 -2.5306 3.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 0.2847 2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1064 -0.0700 3.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2367 -0.6461 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0140 0.6955 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6133 -2.2768 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3640 -0.8570 2.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1425 0.1396 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8498 -1.4750 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 -0.5529 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9722 -2.2745 -0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1921 -1.2551 -2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3956 -1.6996 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5378 0.4809 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2282 1.1265 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7728 0.4354 -3.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9877 -0.0057 -2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6743 2.7804 -2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3053 2.3661 -3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0094 1.7140 -0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3378 2.2483 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3243 3.9556 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0178 3.9341 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4374 4.1834 -0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4288 5.2538 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4103 5.5103 -0.2228 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 31 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 57142 1 0 M END