HMDB0110038 RDKit 3D TG(19:0/14:0/i-19:0) 167166 0 0 0 0 0 0 0 0999 V2000 -1.9899 0.1427 -4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 0.7340 -3.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 0.2839 -3.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3934 0.8172 -2.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3886 2.3163 -2.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4255 2.8890 -1.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3725 4.3831 -1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 5.1118 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0232 4.8188 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6199 5.1543 1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 4.9238 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 5.2300 2.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 5.0739 4.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 5.3839 4.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5622 5.3173 5.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 5.6046 5.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 4.5704 5.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 4.9115 5.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 3.9265 4.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0551 3.4105 5.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 3.4374 3.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 2.4699 3.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 2.0474 1.7717 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0764 3.2216 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 4.0884 1.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7219 3.6209 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 2.4485 0.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 4.3766 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 3.5563 0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 2.4247 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2294 1.6184 1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 0.5357 2.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -0.3124 2.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 -1.1108 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7272 -2.1720 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 -3.1728 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -4.2574 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2609 -3.8030 0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -4.9714 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -5.9919 1.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6753 -7.1381 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0604 -6.7178 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 -7.9022 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 -8.9045 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 -8.5580 -0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 1.1178 1.5329 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 -0.1927 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 -0.4947 1.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8723 -1.2316 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 -1.1500 -0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -1.4068 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3315 -1.2826 -2.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 -1.5170 -3.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 -1.3522 -5.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 -1.4737 -6.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -2.6670 -6.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8451 -3.2949 -5.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1861 -4.4671 -6.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 -5.2154 -5.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 -4.3865 -4.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 -5.3016 -4.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 0.3946 -3.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 0.6295 -5.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.9528 -4.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 0.2899 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8076 1.8179 -3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 0.5247 -4.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.8275 -3.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3792 0.4937 -3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2994 0.3638 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6431 2.6808 -3.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 2.6495 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4158 2.5030 -2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2963 2.4869 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6855 4.6609 -2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 4.7168 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3377 4.8519 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2036 6.2014 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7046 5.4858 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3396 3.7912 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 4.5858 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4348 6.2218 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 5.5808 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5165 3.8848 2.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 4.6812 2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 6.3151 2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 4.0426 4.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0957 5.7594 4.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 4.8001 3.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 6.4503 4.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8478 4.3705 6.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 6.1314 6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 6.6365 5.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 5.6255 7.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 3.6188 5.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4772 4.4125 4.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 5.9091 4.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4457 5.0442 6.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1603 2.9981 3.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 1.5802 3.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.5559 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9723 3.8553 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 2.9782 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 4.8714 1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 5.1846 -0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 3.1260 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 4.2034 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 1.7306 1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 2.8482 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 2.2702 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 1.0813 0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3654 -0.1225 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 1.0067 3.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4093 0.2829 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -1.0267 3.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7683 -1.5685 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -0.4476 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7849 -1.6902 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1158 -2.7326 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2065 -2.6499 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 -3.6055 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -5.0694 2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 -4.7968 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 -3.0798 0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2374 -3.2900 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 -5.4339 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 -4.5946 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -5.4470 2.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -6.4524 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 -7.9067 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 -7.6769 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5171 -6.1895 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 -6.0215 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 -7.5095 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 -9.4588 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -9.6548 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 -8.4508 2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -9.0632 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6257 -7.8329 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -9.3719 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -2.2502 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 -1.1059 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5274 -0.1136 -0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9867 -1.8387 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 -2.3283 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 -0.5703 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.2453 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 -2.0023 -3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -0.7611 -3.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 -2.5064 -3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -1.9304 -5.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 -0.2743 -5.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 -1.1228 -7.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 -0.5776 -6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -2.4125 -7.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3899 -3.5068 -6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -3.8241 -4.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0243 -2.6625 -5.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0455 -5.1775 -6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -4.1583 -7.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 -6.0265 -6.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 -5.7822 -4.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -3.5694 -4.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5423 -3.9381 -5.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -4.6868 -3.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -5.8404 -4.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 -6.0786 -3.6408 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 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 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 43 45 1 0 23 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 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 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 22 99 1 0 22100 1 0 23101 1 1 24102 1 0 24103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 44135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 61167 1 0 M END