HMDB0268287 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-21:0) 135134 0 0 0 0 0 0 0 0999 V2000 -17.9421 -3.8069 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2082 -2.5673 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0297 -2.0339 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8541 -1.6609 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1496 -0.6054 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6233 0.6841 0.1888 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.8827 1.6329 1.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6992 1.2207 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3938 1.3813 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5383 1.9129 -1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2571 2.1050 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6165 1.7938 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3074 1.9877 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6740 1.6758 1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3789 1.8794 1.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6675 1.5814 2.7383 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3964 1.8915 3.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1515 0.1595 2.7657 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3361 0.0115 3.8594 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4392 -0.0469 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -1.4229 1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 -1.6997 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -0.7567 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 -0.0004 0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -0.6652 -1.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 0.1045 -1.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -0.0313 -1.0296 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7986 0.2247 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 0.2490 0.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 0.5406 2.4066 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4376 0.6556 3.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 2.0446 2.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8886 -0.6047 3.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1027 1.0193 -1.6384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 0.6633 -2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -0.5343 -2.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 1.7172 -2.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 1.7579 -2.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 0.5332 -2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 0.5939 -2.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 1.7641 -2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 1.9014 -2.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 0.7816 -2.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 1.0861 -2.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1393 1.1873 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 -0.0922 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4995 -1.3140 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8444 -1.7430 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1019 -1.1811 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6079 0.1117 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 0.4895 -0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1088 -0.3683 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6887 -0.6328 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9479 -1.3310 1.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5100 -2.7177 1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9200 -1.5041 3.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4866 -4.6856 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4124 -3.6727 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8946 -4.0522 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6613 -1.7492 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9952 -2.8006 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3777 -1.1193 -1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6900 -2.7427 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4111 -2.5793 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0645 -1.2854 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2040 -0.3664 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8999 -0.9300 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6033 0.4679 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0003 2.0286 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0698 1.4822 -1.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0756 1.1002 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9886 2.1659 -2.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6939 2.5109 -2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1305 1.3909 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7243 2.3883 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2632 1.2805 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8448 2.2865 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7681 2.2517 2.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9274 2.7028 3.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0005 -0.5583 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9612 -0.8929 3.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7197 0.7571 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2507 0.0533 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1038 -1.5074 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -2.2102 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -1.5416 -0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -2.7606 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 1.2139 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -0.0945 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -1.0143 -1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2578 -0.5949 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 1.1931 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 2.5986 3.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 -0.4482 2.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4414 2.7184 -2.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 1.5841 -3.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 1.8311 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 2.6967 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 0.2688 -3.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7018 -0.3767 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -0.3241 -2.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 0.4866 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 2.7533 -2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 1.6754 -3.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 2.1468 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1124 2.8160 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 0.7004 -3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3078 -0.1958 -2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7581 0.3416 -2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3659 2.0637 -2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 1.9311 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0538 1.7009 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8550 0.0623 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6864 -0.2365 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7971 -2.1686 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2565 -1.5004 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9429 -1.9728 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8945 -2.8834 -0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0296 -1.0467 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9573 -1.9064 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9287 0.9457 -0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5382 0.1580 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2118 1.5345 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8196 0.6463 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9627 -1.3309 -1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9536 0.1218 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7227 -1.1255 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9966 0.3908 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0999 -0.7893 2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4041 -2.8557 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9883 -3.4431 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8145 -3.0194 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9941 -0.5594 3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9026 -1.8187 2.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4843 -2.3091 3.7303 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 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 27 34 1 0 34 35 1 0 35 36 2 0 35 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 54 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 6 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 6 17 79 1 0 18 80 1 1 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 32 93 1 0 33 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 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 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 55130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 56135 1 0 M END