HMDB0038302 RDKit 3D Apigenin 7-[feruloyl-(->2)-[glucuronyl-(1->3)]-glucuronyl-(1->2)-glucuronide] 111117 0 0 0 0 0 0 0 0999 V2000 -2.6986 3.7368 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 4.1254 2.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 3.3273 3.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0832 1.9341 3.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3494 1.0630 4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 -0.3413 4.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -0.7370 3.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 -2.0410 3.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 -3.0627 3.7612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 -2.2544 2.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -3.4717 2.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -4.1302 0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -4.1315 -0.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0785 -3.8084 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 -2.6195 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 -2.4921 -3.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 -1.2976 -3.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9159 -1.2605 -5.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -0.1176 -6.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.0626 -7.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7271 1.1187 -5.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7147 2.2932 -6.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 2.3336 -7.4043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5543 3.4800 -5.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4139 3.4506 -4.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 4.6710 -3.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 4.6008 -2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 5.7596 -1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 6.9500 -1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1858 8.1250 -0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 7.0048 -3.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 5.8531 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 2.2766 -3.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 1.1362 -4.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 -0.0610 -3.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -2.8091 -1.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7548 -3.9856 -1.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6158 -3.7843 -3.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2572 -4.7513 -3.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 -2.5804 -3.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 -5.2383 -1.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4934 -6.0635 -2.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4923 -5.0347 -2.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -6.1605 -1.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -5.4737 1.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 -5.6934 2.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -6.9484 2.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -7.5457 1.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -7.4762 3.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -4.6528 3.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 -4.8352 3.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5882 -3.2953 2.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 -2.8030 2.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 -1.4160 1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -0.6638 2.8971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.6491 2.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 1.1704 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 0.5324 1.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 2.5886 2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 1.1444 1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 2.4444 1.3737 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 0.3130 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 0.4938 -0.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 -1.1447 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9466 -1.7116 -0.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 1.5347 5.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 2.9193 5.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 3.7988 4.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 5.1737 5.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 3.8081 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3506 4.3044 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0251 2.6760 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8064 1.5358 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 -1.1212 4.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 0.1506 3.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 -4.2155 2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 -3.7186 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -3.6416 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 -1.7123 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -2.2337 -5.8437 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0 0 2.9289 1.2671 3.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1815 3.1122 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 1.1878 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 3.1412 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 0.6810 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 0.9623 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4636 -1.6241 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -1.4663 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 0.9173 6.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1706 3.3703 6.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5108 5.8250 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 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 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 25 33 1 0 33 34 1 0 34 35 2 0 15 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 12 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 46 50 1 0 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