HMDB0269869 RDKit 3D PG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/20:3(8Z,11Z,14Z)) 133132 0 0 0 0 0 0 0 0999 V2000 15.9406 3.0729 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8561 3.9725 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3321 3.4144 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0658 3.0867 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0518 3.2469 -0.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3362 2.0893 -1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 0.8445 -0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3656 0.1739 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8963 -0.5768 1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 -0.7223 1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4536 -0.1624 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -1.2849 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3877 -1.4223 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8091 -0.5269 1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 -0.7603 2.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8631 0.0977 3.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7107 1.1415 3.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5822 0.6789 2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5894 1.5424 1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9535 0.9686 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -0.0911 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 0.0321 -1.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -1.1414 0.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -2.1726 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 -1.7653 0.2896 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4705 -3.0094 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -3.9907 0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 -5.2963 0.6392 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3353 -5.4058 1.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -5.0751 -0.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -6.7190 0.6443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4593 -6.7286 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -8.0410 -0.4237 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9551 -8.1166 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -9.2381 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 -9.1432 -1.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -0.7927 -0.6715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5312 0.4033 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 0.6047 0.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 1.3729 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 1.7310 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 0.5799 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 1.0393 -2.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0231 1.6262 -1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4092 2.1381 -2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1886 1.0463 -2.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3357 0.5937 -2.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0244 1.1784 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2276 0.1026 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3602 -0.3448 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6778 0.0824 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9283 1.0941 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5770 2.2344 -0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1466 2.6431 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6112 2.8074 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4532 3.1854 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2116 4.4613 2.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8556 4.5547 2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7084 2.0199 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9533 3.1785 -2.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9396 3.3112 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1761 4.3289 -1.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4491 4.9023 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0448 3.2558 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7690 2.6932 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3823 3.9280 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2369 3.9347 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 2.3229 -2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8029 0.1308 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8798 -0.6521 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2799 0.7444 0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6629 -1.1066 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5091 -1.3482 2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5055 0.6451 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9183 0.3319 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 -1.9969 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8246 -2.2825 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2511 0.3200 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 -1.6106 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -0.5010 4.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 0.6733 4.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 1.2619 3.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 -0.1704 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 2.0371 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 2.4492 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.8464 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 0.6472 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 -2.7282 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 -2.8975 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 -1.4130 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 -2.7426 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 -3.3723 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5413 -5.9145 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -6.6306 -1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2113 -5.9134 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -8.0429 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 -7.3836 1.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 -10.1465 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3841 -9.2737 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3265 -8.7630 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 2.3383 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 1.0454 -2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 2.1915 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 2.4876 -2.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 0.0217 -3.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0569 -0.1676 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 1.7530 -3.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8768 0.1580 -3.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 0.8299 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5562 2.5008 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1598 2.8246 -2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 2.7773 -1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 0.5206 -3.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8224 -0.2534 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7921 1.8950 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2164 1.8577 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2923 -0.3526 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3204 -1.1926 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2239 -0.8680 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2819 0.2147 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6083 0.9430 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7108 2.9313 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8998 1.9727 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6286 3.6044 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9846 1.7969 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8402 3.4777 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4657 2.3599 2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5323 3.1459 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9750 4.5206 2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4501 5.3645 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2074 5.2960 2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0105 5.0247 3.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3868 3.5942 3.0095 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 2 0 15 16 1 0 16 17 1 0 16 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 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 0 24 89 1 0 25 90 1 1 26 91 1 0 26 92 1 0 30 93 1 0 32 94 1 0 32 95 1 0 33 96 1 6 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 58133 1 0 M END