HMDB0281653 RDKit 3D PS(20:4(5Z,7E,11Z,14Z)-OH(9)/18:2(9Z,12Z)) 131130 0 0 0 0 0 0 0 0999 V2000 -3.8324 -8.2853 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 -6.7697 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -6.3358 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 -4.8958 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -4.3517 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.1238 0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 -4.5940 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 -3.1881 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -2.5316 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 -1.4493 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 -0.6957 1.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 0.6701 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6261 1.4925 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 2.7218 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4202 3.7257 -0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6098 3.6512 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 2.8548 -0.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 1.4204 -1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.6331 -1.3142 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0554 0.7268 -1.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -0.6433 -1.0745 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6159 -1.2442 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 -1.2289 -3.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 -0.3961 -4.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2352 0.8315 -4.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -0.8918 -5.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.4926 -5.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 0.9397 -5.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1328 1.0323 -5.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8787 1.8161 -4.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 1.7240 -4.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 2.4781 -4.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 3.5161 -3.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 4.4919 -3.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 4.2284 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 5.3150 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 5.3707 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 4.3115 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7371 3.8299 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 3.8875 2.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 4.3914 3.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 3.2068 3.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1813 3.5899 4.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7288 2.4142 5.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0503 2.7681 6.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9713 -1.1666 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1099 -2.5514 0.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 -3.1389 1.3695 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.2917 -2.3773 1.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4168 -4.7574 0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1212 -3.1444 2.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -3.4927 2.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -3.4975 3.9702 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5960 -4.4209 4.9207 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -2.1542 4.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5059 -1.2216 3.9118 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -1.9653 5.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3058 -8.8108 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8881 -8.5463 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -8.6838 -0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 -6.4963 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6615 -6.3333 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 -6.6046 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -6.9976 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 -4.3294 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 -4.6817 -1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 -4.4892 1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 -3.2971 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4278 -6.2068 0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6474 -5.2348 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5139 -3.2345 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 -2.6274 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -3.0233 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 -1.0782 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3525 -1.1521 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 -0.5198 2.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9446 0.5848 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 1.2269 1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 1.6974 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 0.8158 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4476 3.2755 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 2.4719 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 4.6949 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 4.2388 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 4.7631 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 3.4287 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 3.1325 0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 3.2998 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 -1.0794 -1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6312 -0.7929 -2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8873 -2.3128 -2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -0.5993 -6.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -2.0275 -5.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 -1.0637 -6.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -0.9074 -4.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6671 1.1923 -6.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 1.6324 -4.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 0.3229 -6.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 2.5037 -3.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7309 0.9500 -5.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 2.3308 -4.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 3.1617 -2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 4.2241 -4.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 4.6605 -3.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6003 3.4377 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 6.1571 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 6.2520 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 4.8075 0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 3.5128 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 3.4100 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 3.5076 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 5.1320 3.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 4.8125 2.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 2.3288 3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1265 3.0045 4.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9132 3.9868 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9889 4.3869 5.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0665 2.0051 6.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 1.5627 4.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7211 3.1461 5.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 3.5498 6.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5053 1.8672 6.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9482 -0.7074 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3838 -0.9013 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0852 -5.0334 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2432 -2.8347 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7618 -4.5060 2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 -3.8197 3.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6348 -4.0122 5.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0501 -5.3036 4.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7719 -1.7885 6.6709 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 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 2 0 55 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 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 1 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 50125 1 0 52126 1 0 52127 1 0 53128 1 6 54129 1 0 54130 1 0 57131 1 0 M END