HMDB0300404 RDKit 3D DG(i-22:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 131130 0 0 0 0 0 0 0 0999 V2000 -12.3345 4.7952 1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4785 4.0170 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4966 4.2301 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2080 2.5207 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2740 1.6801 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3980 0.2461 0.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4966 -0.8026 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1895 -1.1573 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1001 -0.1817 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7617 -0.7713 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3454 -1.9642 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2012 -1.5084 -0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9088 -2.4754 -2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7134 -3.3175 -2.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4906 -4.3191 -1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2707 -5.1541 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0336 -4.3180 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 -3.6030 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4059 -2.7959 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -1.7327 -1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -0.8869 -1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -0.1340 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 -0.2938 0.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 0.7188 -0.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4999 1.4316 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 0.5873 1.9352 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8711 -0.3933 2.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3489 -0.0892 1.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3812 0.6935 1.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7198 1.3111 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 1.1845 -0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 2.1672 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8765 2.0723 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 0.6795 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 0.2074 0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -0.1122 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 -0.0282 1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4214 0.9304 1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6929 0.5761 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1871 -0.7461 1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9613 -1.5148 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 -1.2189 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0269 -0.0471 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1001 0.8257 -1.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3683 0.7817 -1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1333 -0.1549 -0.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9408 0.5351 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9055 1.5258 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6612 2.1552 0.7209 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6684 3.1828 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8761 2.6315 1.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3763 4.2715 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4062 4.9202 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2606 5.7872 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4190 4.3536 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5390 5.3218 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3824 3.7819 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5400 3.8879 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2003 2.3151 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1121 2.4549 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3730 1.8348 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3118 2.1445 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5926 0.1139 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5063 -0.0568 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1474 -1.7959 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4388 -0.7450 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3436 -1.4667 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8554 -2.1832 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3047 0.5631 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9879 0.4231 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8674 -1.0454 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0058 0.0051 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9771 -2.8157 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2906 -2.1552 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1718 -0.9934 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3854 -0.7151 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0045 -1.8727 -3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8255 -3.1790 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8002 -2.6210 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6214 -3.8499 -3.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3173 -3.8656 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 -5.0019 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1442 -5.9380 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4566 -5.6362 -2.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1026 -3.6310 -2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 -4.9851 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 -2.9306 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -4.3133 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -3.5709 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0869 -2.4602 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 -1.0833 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -2.2490 -2.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 -0.1797 -2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 -1.5539 -1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 1.9683 1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 2.2550 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 1.2868 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3386 -1.1032 2.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -0.6742 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -0.9516 0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 3.2077 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 1.9822 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 2.3810 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 2.8069 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 0.6991 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -0.0021 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 0.1311 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -0.4585 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 0.2450 2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -1.0720 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 1.9558 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4067 1.4105 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9061 -0.5876 2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4108 -1.4083 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3071 -2.5159 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8805 -2.0694 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1244 0.5531 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 -0.4165 -2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7146 1.7045 -2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9262 1.6377 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8477 -0.7300 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5526 -0.8938 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4765 -0.2821 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2229 0.9672 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4536 2.2647 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6674 0.9815 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2859 1.3243 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2226 4.1741 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5840 3.1408 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9862 2.9231 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6441 1.9133 2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 28 99 1 0 28100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 1 50128 1 0 50129 1 0 50130 1 0 51131 1 0 M END