HMDB0300468 RDKit 3D DG(i-22:0/0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 133132 0 0 0 0 0 0 0 0999 V2000 17.3071 1.9449 0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8883 2.3958 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8042 3.2021 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 3.5613 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5259 2.2741 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 1.3636 -2.3281 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4121 1.0648 -2.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4461 0.0380 -2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5750 -0.5634 -1.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1946 -1.9273 -1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3679 -2.7051 -1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6001 -2.3219 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -2.0209 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 -1.6490 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 -2.6726 2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 -2.4274 3.1850 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2125 -1.7383 4.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 -1.6454 2.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2984 -2.4519 2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3495 -0.3334 2.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 0.4349 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.1231 1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.3768 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -1.2621 0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 0.2826 -0.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 0.1574 -1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 0.9274 -2.4638 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9400 2.3156 -2.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 0.4564 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.7925 -0.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 0.4839 -0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0586 -0.2064 -1.0649 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 0.8613 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 0.9456 1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 -0.0894 1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 -0.6617 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4268 0.4608 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3429 0.2353 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5224 -0.6814 -0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4278 -0.3339 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6489 -1.2401 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4447 -1.0045 -1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9092 0.3934 -1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9338 0.9806 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8163 0.9324 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8900 1.8317 1.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2477 1.4674 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6639 0.0608 1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0021 -0.2017 0.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9196 -0.0098 -0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2232 -0.3992 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1775 -0.2798 -2.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6677 -1.7641 -0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8032 2.5570 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9189 1.8459 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2330 0.9012 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1968 1.5504 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6461 3.1219 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2464 4.2407 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4259 2.8873 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3294 4.0402 -2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9622 4.1374 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3657 1.8742 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4976 2.6939 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0357 1.8438 -3.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6135 0.2014 -2.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8129 -0.5686 -3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1876 -0.0349 -0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7784 -2.3847 -2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3098 -3.7057 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5416 -3.1996 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 -0.9753 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0554 -0.7994 2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 -3.5336 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 -3.4212 3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6295 -1.0095 4.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5426 -1.4843 3.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -2.2411 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7217 -0.5074 1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 0.2355 2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 1.3884 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 0.8753 3.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 0.6287 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 -1.0179 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 0.4525 -2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -0.9440 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8524 0.9281 -3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 2.4616 -1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 -0.6730 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.8196 -2.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 0.3548 1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1423 1.9530 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 1.8277 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 1.4595 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -0.9734 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 0.3203 2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -1.4459 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 -1.2296 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8334 1.1328 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 1.1453 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8393 1.2666 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 0.0615 -2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1376 -0.5244 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2659 -1.7324 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9033 -0.6087 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6711 0.7265 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2880 -1.1962 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3008 -2.3286 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3794 -1.6496 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9673 -1.3998 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 0.5188 -2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0097 1.0950 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0123 2.0877 -0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9648 0.6138 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8463 1.2559 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0652 -0.0736 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8652 1.7590 2.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6712 2.8543 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3585 1.7691 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9856 2.1161 1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6942 -0.1784 2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9598 -0.6945 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7192 0.5424 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3766 -1.2331 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0609 -0.4972 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8115 1.0908 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0342 0.3175 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0130 0.7195 -3.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4871 -1.0535 -3.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2132 -0.5893 -3.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3759 -2.1096 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8624 -2.5238 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2185 -1.6946 0.0580 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 6 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 1 17 76 1 0 18 77 1 1 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 28 88 1 0 29 89 1 0 29 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END