HMDB0275377 RDKit 3D PGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/i-17:0) 138137 0 0 0 0 0 0 0 0999 V2000 -9.1398 0.9249 6.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5538 0.3327 4.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2983 0.1152 3.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6143 1.4114 3.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 1.2944 2.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5346 0.7294 1.5367 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0161 -0.5667 1.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 0.8470 0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0581 0.6961 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 0.8436 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 0.7181 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2847 0.4197 2.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 1.3095 3.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1019 2.5049 2.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 3.2497 1.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 4.4561 1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 5.2186 0.2428 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1623 6.0055 0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2357 4.2988 -0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 3.4144 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 2.4590 -2.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 1.6122 -2.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 1.9373 -1.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 0.5120 -3.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -0.2426 -3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -1.4647 -4.4381 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1950 -1.0718 -5.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 -2.2405 -6.5344 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -1.8997 -8.0372 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2603 -0.4117 -8.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2459 -2.6774 -9.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -2.5220 -8.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -2.4249 -6.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 -2.9623 -7.0467 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3186 -4.2961 -7.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -2.8065 -5.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5527 -3.5021 -4.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -3.3381 -3.2854 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2784 -1.9402 -2.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 -4.3829 -2.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0228 -3.7998 -3.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 -2.3010 -3.8146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -3.6279 -3.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 -4.1457 -3.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 -4.4197 -2.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -4.5965 -1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -5.3610 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -5.4872 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -4.3194 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 -3.0879 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -2.1480 2.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -1.8060 1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1504 -0.8752 2.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 0.4122 2.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 1.1765 1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 2.4857 1.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3099 3.3580 2.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 3.7340 2.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1351 4.6023 3.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0209 4.5540 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6871 0.4762 7.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2894 2.0276 6.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0377 0.7917 6.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2376 1.0379 4.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0220 -0.6631 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7088 -0.6571 4.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6671 -0.2799 2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3150 2.1880 3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3173 1.8138 4.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 2.3076 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6613 0.6764 3.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3346 1.3020 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8818 -1.0485 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3123 1.0698 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 0.4798 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0321 1.0728 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8541 0.8056 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 0.0599 2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -0.5915 2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 0.9237 4.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 3.0416 3.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 2.8864 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 4.9343 2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 5.9077 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 6.7527 -0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1923 3.7823 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 4.9788 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 4.0943 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2543 2.8936 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 3.1010 -3.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 1.8402 -2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7783 0.3913 -4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -0.5704 -2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 -1.9438 -4.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -0.3667 -6.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.5796 -5.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 -2.6653 -10.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0248 -1.3926 -6.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4032 -3.0463 -6.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9247 -2.3995 -7.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6926 -4.4380 -8.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -3.3130 -5.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3835 -1.7578 -5.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 -3.9168 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3776 -4.0122 -2.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 -3.9559 -2.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 -5.4222 -3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4038 -5.2919 -0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -3.6808 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3105 -6.4180 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 -5.0346 -1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -6.2957 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -5.9390 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -4.6542 2.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -4.0232 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 -3.1485 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 -2.4654 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 -1.2398 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -2.7103 3.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5607 -1.3460 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -2.7268 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 -1.3429 3.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2239 -0.7620 2.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 0.2276 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 1.0430 3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 1.2808 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 0.5732 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 2.2584 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 3.0165 0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1805 2.9503 3.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7214 4.3221 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4118 2.8357 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 4.5634 4.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 5.6866 3.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 4.2537 4.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7109 5.4218 1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 5.0086 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 3.9672 0.6958 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 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 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 57 58 1 0 58 59 1 0 58 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 6 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 31 97 1 0 33 98 1 0 33 99 1 0 34100 1 6 35101 1 0 36102 1 0 36103 1 0 40104 1 0 41105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M END