HMDB0041769 RDKit 3D Quercetin 3'-O-glucuronide 52 55 0 0 0 0 0 0 0 0999 V2000 -5.9018 1.7067 -1.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 0.9634 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7639 1.3187 -2.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 -0.3099 -0.5551 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7179 -1.0001 -0.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -0.7749 0.3972 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3980 0.5482 0.4267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 1.0482 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 0.3263 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2311 0.9111 -0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.1888 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 0.8852 -0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 0.3834 -0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 1.1428 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 0.5872 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2838 1.3487 -1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2261 -0.7828 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -1.5461 -1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1495 -2.9398 -1.2309 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 -0.9892 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 -1.7935 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -3.0390 -0.8526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -1.1742 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -1.9960 -0.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 2.3050 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 3.0437 0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 2.4325 0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 3.2239 0.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4036 -1.2311 1.7264 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8326 -2.3890 2.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9199 -1.2951 1.6636 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4992 -1.2886 2.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3372 -0.0533 0.8665 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7215 0.0134 0.9371 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 2.0183 -2.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6966 -0.9536 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -1.4355 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -0.7379 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 2.2253 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 2.3395 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1642 -1.2628 -1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -3.3716 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -2.9862 -0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 2.8032 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 4.1204 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 2.8178 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1651 -0.4125 2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 -2.3733 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2517 -2.1917 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8449 -1.6793 3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 0.8347 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0647 0.4706 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 10 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 6 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 4 1 0 27 8 1 0 23 11 2 0 20 13 1 0 3 35 1 0 4 36 1 6 6 37 1 6 9 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 28 46 1 0 29 47 1 1 30 48 1 0 31 49 1 6 32 50 1 0 33 51 1 1 34 52 1 0 M END