HMDB0283454 RDKit 3D PS(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)-O(12,13)) 135135 0 0 0 0 0 0 0 0999 V2000 -14.9911 -3.9757 -2.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4131 -4.2817 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8845 -5.6066 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0509 -5.8644 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5146 -4.8171 1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0450 -4.7888 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3054 -3.7842 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9217 -2.4898 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3482 -1.4806 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6692 -0.4246 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3588 -0.0583 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0116 0.0370 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8906 -0.1931 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6514 -0.6295 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9703 0.1629 2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4663 1.3531 1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4738 2.1956 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0162 2.5489 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1253 3.3964 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 3.9169 -1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0265 4.8763 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 4.5723 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7152 4.7608 1.5335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 4.0296 0.2851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 3.7276 1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 3.2657 1.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8538 4.4697 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 4.1720 0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8824 5.6015 -0.4182 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1859 5.2898 -1.0643 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 6.7327 0.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 6.2841 -1.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 7.6497 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 8.3494 -2.3199 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1497 8.1098 -3.7052 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 9.8134 -2.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 10.6642 -2.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 10.2301 -0.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1609 2.1306 0.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9024 1.0129 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 1.1056 1.7021 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 -0.2371 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -1.1929 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3878 -0.7306 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -1.7280 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3096 -3.0791 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 -4.0764 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -3.7300 1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1752 -3.6256 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1134 -4.4493 -0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 -5.5105 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2815 -5.2613 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7303 -5.2616 -1.2884 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8719 -4.1063 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3581 -3.8620 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7439 -2.5653 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1862 -2.2285 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8059 -2.0730 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8540 -3.2468 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0572 -3.3802 -2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8480 -4.9229 -2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8123 -3.4087 -2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5288 -4.2596 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0371 -3.4800 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2594 -6.4355 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7125 -6.9106 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6682 -5.2461 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0425 -3.8826 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5191 -5.7103 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2137 -3.8289 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6980 -2.3338 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0325 -2.4870 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5032 -1.6160 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3166 0.2683 1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0136 -0.6712 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8736 0.9898 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9163 0.3674 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9493 -0.0579 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9776 -1.6248 0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5346 -1.1280 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8357 -0.2899 3.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 1.8105 2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8094 3.2353 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1352 2.0397 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5372 3.0800 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 1.6081 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 2.9640 -1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7174 4.3247 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 4.4299 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 3.0239 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 5.8382 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 5.2020 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 4.6219 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 2.9036 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 3.0516 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 5.2352 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3205 4.8527 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 6.7538 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 8.0398 -1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 7.9434 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8092 8.0227 -2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 7.3877 -4.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 7.8444 -3.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 10.4791 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 -0.6756 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 -0.0583 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -1.4036 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -2.1630 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7627 -0.6210 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 0.2281 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -1.7983 2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3444 -1.2832 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -3.4690 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5672 -3.0257 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0402 -5.0739 0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9445 -4.2270 2.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2599 -4.3431 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -2.6801 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7656 -2.8795 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4423 -4.3136 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4736 -5.6681 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 -6.5187 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8386 -6.0040 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3243 -3.2397 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9789 -4.6714 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4909 -3.8170 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1744 -1.6981 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3801 -2.5170 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8211 -2.9959 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3200 -1.2633 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2705 -1.2471 1.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8636 -1.6851 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7522 -4.1756 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8900 -3.2970 2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 -3.1591 2.4259 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 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 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 36 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 2 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 54 52 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 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 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 1 35102 1 0 35103 1 0 38104 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 50120 1 0 51121 1 0 51122 1 0 52123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 M END