HMDB0260801 RDKit 3D PE(20:4(5Z,7E,11Z,14Z)-OH(9)/15:0) 123122 0 0 0 0 0 0 0 0999 V2000 13.0330 2.8709 3.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4050 3.9986 2.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3899 3.6093 1.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1132 2.4983 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9693 2.5164 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 2.5798 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6746 1.6588 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9327 0.4080 -0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0459 0.3081 -1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 -0.6644 -2.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 -1.7892 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5334 -1.7211 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 -1.8198 -1.9686 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -0.4770 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 0.4165 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3409 0.2773 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 1.2595 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 1.2558 -2.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 0.0397 -2.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 -1.2162 -2.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 -1.0507 -1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.3514 -0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 -1.7376 -2.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9872 -1.7313 -2.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3189 -2.2051 -0.7483 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6926 -3.5413 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -3.9102 0.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 -5.4178 1.1444 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7153 -5.7504 0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -5.4326 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 -6.6670 1.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 -6.5017 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -7.5944 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 -8.8568 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 -2.2516 -0.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -1.3990 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 -0.5217 0.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9182 -1.5179 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4768 -0.4865 1.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9585 -0.6907 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6867 -0.5852 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6290 0.7215 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2133 1.8220 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6208 1.4754 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 2.4910 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5206 3.8322 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2420 3.9049 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6328 3.4777 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7290 4.1378 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8058 4.1261 1.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9145 2.7172 1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8930 2.2186 3.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 3.3331 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1923 2.2514 3.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9503 4.7557 3.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5131 4.5043 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6558 4.5131 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3946 3.3992 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0531 1.4967 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0367 2.3142 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0719 3.4976 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1733 1.7334 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 3.4889 0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 1.8255 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 -0.4318 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9633 0.3336 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 1.1285 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5984 -0.6576 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6638 -1.8951 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0572 -2.7842 -1.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3377 -2.6107 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0822 -2.5655 -2.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1308 -0.2877 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4646 1.2874 0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2449 -0.5143 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 2.1142 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 2.2019 -2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 1.3662 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.2496 -3.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -0.1963 -3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -2.0765 -2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 -1.3865 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 -0.6664 -2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -2.3652 -2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 -1.4209 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -3.4664 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -4.3014 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 -5.1692 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 -6.5953 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7146 -5.5166 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 -7.4699 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -7.5373 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7772 -8.7250 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1739 -9.0220 0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 -1.3124 -0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 -2.5553 0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0841 -0.6095 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1943 0.5427 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4141 -0.0772 2.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0953 -1.7497 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 -1.3526 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7588 -0.8657 0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6073 0.9919 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2488 0.6336 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5862 1.9390 1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0847 2.7629 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1519 1.1623 -0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5668 0.5640 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6892 2.6537 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2406 2.0016 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4582 4.2000 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8870 4.5265 1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2119 5.0126 -0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6304 3.4505 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8817 3.5825 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7709 2.3598 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7199 3.6782 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8528 5.2063 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0838 4.7063 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8071 4.6170 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2266 2.6312 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5908 1.9604 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9580 2.4734 2.2632 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 12 14 1 0 14 15 2 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 31 32 1 0 32 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 30 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 51123 1 0 M END