HMDB0289333 RDKit 3D PC(DiMe(9,5)/20:4(5Z,8Z,11Z,14Z)-OH(17)) 142142 0 0 0 0 0 0 0 0999 V2000 4.5471 6.3283 -11.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 5.3021 -11.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2113 5.4859 -11.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 5.4130 -10.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 5.5781 -9.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 5.4940 -8.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 4.4459 -7.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 4.6934 -6.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4997 3.7518 -5.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 4.0536 -4.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 2.9284 -3.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2358 3.1553 -2.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 2.0089 -1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 1.8288 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.7780 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 -0.6182 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 -1.5389 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 -1.1686 1.5479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -2.6895 1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5921 -3.4162 2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 -4.1398 1.8180 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6937 -4.8513 3.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -5.6668 3.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -6.4616 4.9796 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2613 -5.8489 6.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7632 -6.4318 4.7323 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.3942 -8.0878 4.8524 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 -8.4339 3.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -9.8695 3.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0675 -10.1504 3.7560 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5322 -11.2786 2.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -10.5138 5.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 -9.0223 3.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3835 -3.3230 1.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 -3.6413 -0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -4.7313 -0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 -2.9651 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6663 -1.7809 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7164 -1.9545 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 -2.4288 1.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 -1.6449 2.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0895 -0.2382 2.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 0.6467 3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 1.4511 4.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 1.5695 4.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2178 2.9381 4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 3.6648 5.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6547 3.3961 7.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 2.1779 7.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 2.1020 8.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 3.2056 9.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 2.8690 8.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 2.6612 7.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 4.0240 9.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 3.8260 9.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 4.9603 9.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 5.9704 -6.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 6.7406 -4.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6398 6.4651 -7.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 7.8142 -7.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 6.0854 -11.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 7.3358 -11.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4109 6.4155 -10.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9923 4.3093 -11.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9307 5.2985 -13.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 4.6997 -12.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 6.4390 -12.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 4.4943 -9.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 6.2663 -9.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 4.7541 -10.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0948 6.5598 -10.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 2.7260 -5.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 3.6236 -4.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 4.1104 -5.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 5.0354 -4.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2388 2.0194 -4.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 2.7121 -3.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 3.3573 -3.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0741 4.0819 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 1.1005 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3103 2.3597 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 2.7974 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 1.6854 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 1.0193 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 0.7817 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6933 -0.7032 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 -0.9159 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3389 -4.1505 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3039 -2.6689 2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -4.9546 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -4.1025 3.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 -5.5255 2.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -7.7377 2.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -8.3550 3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -10.0473 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 -10.5704 3.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9447 -11.3775 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -11.2308 2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -12.2072 3.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -10.9701 5.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 -9.5686 5.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 -11.2192 5.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 -8.1987 4.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -8.6965 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 -9.2593 3.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -3.7578 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -2.7083 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 -1.3741 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.9057 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 -2.8638 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -1.1815 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -3.4673 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.0315 3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -0.2820 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 0.0853 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 0.5868 2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 2.0707 4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 1.1638 5.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 0.9287 4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 3.3595 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 4.7179 5.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 3.5276 7.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 4.3299 7.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9439 1.2793 7.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 1.1294 9.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 4.1784 8.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 3.3225 10.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 1.9713 9.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 1.6879 7.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 4.9687 8.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 4.1435 10.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 3.7367 7.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 2.8913 9.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 5.1597 8.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 4.7039 10.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 5.9077 9.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 6.1655 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 6.9178 -4.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 7.7587 -5.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1791 7.9247 -7.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 8.0132 -8.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 8.5984 -7.3225 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 21 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 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 52 54 1 0 54 55 1 0 55 56 1 0 8 57 2 0 57 58 1 0 57 59 1 0 59 60 1 0 59 6 2 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 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 20 88 1 0 20 89 1 0 21 90 1 6 22 91 1 0 22 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 58137 1 0 58138 1 0 58139 1 0 60140 1 0 60141 1 0 60142 1 0 M CHG 2 26 -1 30 1 M END