HMDB0261152 RDKit 3D PE(18:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 130129 0 0 0 0 0 0 0 0999 V2000 17.0091 2.0308 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8085 2.0036 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6591 2.5309 1.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9748 3.5863 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2943 4.3865 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0219 5.7443 0.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3283 3.9811 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5089 2.5486 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5034 1.6616 -0.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7461 0.2627 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8305 -0.6597 -1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 -0.3473 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5043 -0.7347 -1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 -1.6569 -1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 -2.4057 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0799 -2.3930 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 -1.7399 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 -0.7638 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 0.5722 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0192 0.4540 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 0.0457 -0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 0.0849 -1.7177 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -0.4233 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6627 -0.7986 -0.8466 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7116 -0.3200 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -0.7280 0.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.4775 0.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 0.1425 0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0927 -0.9054 2.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6447 -0.9178 2.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -1.9138 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3482 -2.2441 0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2845 -1.2535 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7029 -0.1496 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7206 0.7559 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2170 1.8683 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1803 2.7421 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3668 1.9482 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3236 2.8839 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5010 2.1155 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3247 1.4091 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9499 2.3326 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8570 3.3507 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9763 2.6846 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8222 1.8407 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5854 -2.3504 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 -2.7351 0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 -4.4160 0.7014 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1654 -4.8907 1.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -4.8858 1.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -5.1887 -0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9828 -5.6173 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 -6.2767 -2.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -7.3745 -2.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9556 2.0932 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9136 2.9509 2.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9959 1.1366 2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1326 2.5454 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6722 0.8939 0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3519 1.9819 2.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1140 3.9405 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2982 4.2808 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 6.2528 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2991 4.2096 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 4.6481 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4602 2.1627 -1.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 2.0899 -0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7628 -0.0475 -1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 -1.7137 -1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3107 0.7601 -0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1568 -0.7252 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5986 -0.2360 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9918 -1.8734 -2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2227 -2.3525 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4466 -3.5315 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 -3.1052 1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1303 -1.9349 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 -0.5508 -1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 -1.1370 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 0.9072 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 1.2306 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -0.3145 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 1.4629 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 -0.5957 -1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 0.7368 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3429 -0.8758 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8508 -0.2385 3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 -1.9391 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 0.1449 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0287 -1.2363 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4231 -1.7250 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -2.8852 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3298 -3.0932 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8328 -2.7812 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8457 -0.7858 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2461 -1.7789 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9299 0.5369 1.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2956 -0.5912 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5369 0.0521 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2549 1.2005 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3136 2.4965 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6853 1.4694 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6768 3.2941 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5366 3.5219 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8539 1.4158 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9860 1.1697 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7797 3.3237 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6599 3.6518 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0474 1.3079 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0988 2.7187 -1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0749 0.7912 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6793 0.7040 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5865 1.7171 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1984 2.8302 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3739 3.8769 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3243 4.1144 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5913 2.0748 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6206 3.5270 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6336 0.7561 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9158 2.0062 0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6511 2.0652 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5894 -2.7190 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -2.7493 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8326 -4.8685 2.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -6.3980 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6519 -4.7636 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 -5.5407 -2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -6.5775 -2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -7.8691 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3962 -6.9171 -2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 1 0 7 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 24 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 M END