HMDB0289082 RDKit 3D PC(DiMe(11,5)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 149149 0 0 0 0 0 0 0 0999 V2000 -0.9366 -1.4931 -10.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -2.1726 -9.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2639 -2.2426 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -2.8928 -7.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -2.8881 -6.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -3.4467 -4.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -2.7451 -4.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.5278 -3.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -3.0095 -2.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 -2.9909 -0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -4.2774 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 -4.0678 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -3.3067 1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -3.0193 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1617 -2.1239 3.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -1.7985 4.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 -0.8476 5.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 -0.5286 6.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 0.4260 7.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 0.5174 8.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 1.2921 6.8242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 2.2628 7.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 3.0030 6.3333 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0360 2.1670 5.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4921 1.1269 4.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 0.1988 4.1195 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0170 0.7257 4.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 -1.3562 4.8167 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.0631 0.0178 2.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.0537 2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 0.8981 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 1.9442 0.4094 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7291 2.0579 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 1.5169 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3777 3.2025 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1024 3.5951 5.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 4.9293 5.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 5.7343 5.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 5.5035 4.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 5.5837 4.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4025 6.1949 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 6.3020 4.1948 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5988 6.9008 3.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 5.0359 4.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 4.0662 3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 2.8320 4.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 1.8756 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 1.9912 1.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 1.9315 1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8687 1.0152 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9514 -0.0221 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -0.9152 -1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -2.0184 -1.5364 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7622 -3.2289 -0.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -2.2451 -3.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8359 -2.5813 -3.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9255 -2.8559 -4.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -1.6748 -5.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 -2.0454 -7.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.8152 -3.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -6.0988 -2.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -4.7702 -4.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 -5.9665 -5.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 -1.9331 -11.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 -1.4162 -10.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3053 -0.4347 -10.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 -3.2227 -10.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.6774 -9.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 -1.2157 -8.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 -2.7235 -8.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 -3.9243 -7.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0642 -2.2761 -7.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 -1.8482 -5.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -3.5081 -6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 -3.5337 -1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4023 -1.9464 -2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -2.2188 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -2.5477 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -4.9503 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2547 -4.7919 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -5.0689 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 -3.4827 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 -3.8083 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -2.3114 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 -2.4946 2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 -3.9767 2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 -1.1985 2.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1233 -2.6142 3.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5071 -1.3733 4.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4223 -2.7375 5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.4090 5.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6631 0.0401 4.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2419 -0.1714 6.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -1.4685 7.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 1.9368 8.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 3.0388 7.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 3.8348 6.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 2.8501 4.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7569 1.7359 6.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 1.1487 2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 1.9764 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 0.9771 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 -0.1054 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1109 2.7062 2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 2.5537 1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 1.0416 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 0.9782 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 0.8592 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 2.4388 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 3.9857 0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 3.3960 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 3.1639 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 4.9186 3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2562 6.5346 3.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1611 4.6198 5.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 6.2945 5.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 5.6775 2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 7.2539 3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 7.0170 5.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 7.6203 2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 4.8613 5.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 4.3145 2.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 2.6616 5.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1376 0.9762 3.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 1.0607 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 2.8300 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4196 2.6657 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 1.0619 -0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -0.1630 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 -0.7871 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -1.7626 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -3.1491 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -3.0580 -3.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -1.3195 -3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -1.7658 -3.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 -3.4852 -2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 -3.7911 -5.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 -3.0069 -5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 -1.5118 -5.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0945 -0.8058 -5.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 -1.5567 -7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 -3.1451 -7.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6068 -1.7095 -7.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7609 -6.8642 -3.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9072 -6.4930 -2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 -6.0261 -2.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0519 -5.6769 -6.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 -6.2542 -6.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -6.8257 -4.8605 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 23 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 2 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 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 8 60 2 0 60 61 1 0 60 62 1 0 62 63 1 0 62 6 2 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 22 95 1 0 22 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 33104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 35112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 1 43120 1 0 44121 1 0 45122 1 0 46123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 50128 1 0 51129 1 0 52130 1 0 53131 1 1 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 61144 1 0 61145 1 0 61146 1 0 63147 1 0 63148 1 0 63149 1 0 M CHG 2 28 -1 32 1 M END