HMDB0112613 RDKit 3D PS(20:3(5Z,8Z,11Z)/22:0) 148147 0 0 0 0 0 0 0 0999 V2000 -3.6976 8.1329 -1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 7.2699 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5383 8.0744 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 7.2336 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 8.1362 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 7.5263 1.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 6.8695 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6385 7.7621 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 6.9656 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1201 6.8126 -1.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 7.3467 -2.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 6.2672 -3.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 6.0027 -4.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 6.7640 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 6.2195 -3.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 5.0456 -2.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 3.8699 -2.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3892 3.3644 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 2.0846 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 1.6605 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 2.4381 0.8682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7271 0.3727 0.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 0.0068 1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -1.4997 1.6222 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8918 -2.0674 0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -1.5518 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -1.9999 -1.5101 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5066 -1.4197 -1.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 -1.3508 -3.0376 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -3.6482 -1.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 -4.3161 -1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -5.8026 -2.1682 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8765 -6.4168 -2.4157 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -6.0476 -3.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5265 -5.6596 -3.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -6.7405 -4.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 -1.9527 2.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0506 -2.6862 3.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 -3.0419 2.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 -3.0844 5.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -3.8047 5.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -5.0193 4.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -5.7216 4.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 -6.1582 5.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -6.8920 5.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6787 -6.0307 4.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 -4.7854 5.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 -3.8220 4.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8954 -3.1261 3.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -3.9098 2.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 -2.9499 1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 -3.7439 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1796 -4.5750 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -5.3465 -1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 -4.4986 -2.9148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 -5.4127 -4.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8884 -4.6990 -5.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 -3.8425 -5.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 -3.2118 -6.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5948 -2.3212 -7.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1681 8.6862 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 8.8502 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 7.4528 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 6.6738 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9978 6.5443 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9913 8.5975 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 8.8972 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 6.4193 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 6.9034 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 8.9991 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 8.6287 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 6.7673 2.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 8.2974 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 5.9322 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 6.5112 1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 8.0031 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 8.6131 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 6.4492 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 6.1710 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 8.1129 -2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 7.9325 -3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9669 5.5906 -4.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 5.1663 -5.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 7.2026 -5.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 7.7434 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 6.9815 -3.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7205 4.8756 -2.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 3.8570 -3.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 3.0326 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 3.2568 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 4.1276 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 1.3272 -2.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 2.2078 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 0.2718 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 0.4886 2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 -1.6969 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -1.5559 1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8356 -3.1433 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 -1.9279 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -3.9405 -2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -4.1288 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 -6.2973 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -5.7828 -2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 -6.7861 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 -7.3921 -4.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -2.1442 5.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 -3.7157 5.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 -3.0545 4.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2312 -4.0631 6.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -4.6837 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 -5.7366 4.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -5.0865 3.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 -6.6331 3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -6.8846 5.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 -5.3227 6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -7.7653 4.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 -7.2385 6.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -5.9171 3.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -6.6546 4.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1388 -4.9682 6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -4.2065 5.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 -4.3086 4.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -2.9809 5.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -2.4198 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -2.3569 3.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 -4.3115 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -4.7489 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -2.3981 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7627 -2.2461 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -3.0053 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -4.3704 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -3.9241 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -5.2744 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2581 -6.0538 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0503 -5.9956 -1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 -3.7981 -3.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1209 -3.8720 -2.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 -6.1510 -4.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 -5.9487 -4.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7584 -3.9977 -5.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -5.4313 -6.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -4.4207 -5.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.0507 -4.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -2.6410 -7.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 -4.0422 -7.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -2.4478 -8.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7435 -2.5859 -6.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -1.2517 -7.0686 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 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 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 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 59 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 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 0 31101 1 0 32102 1 1 33103 1 0 33104 1 0 36105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 M END