HMDB0240252 RDKit 3D Salicyluric beta-D-glucuronide 43 44 0 0 0 0 0 0 0 0999 V2000 0.6653 0.1056 0.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -0.9765 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 -2.1251 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.7432 0.5102 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -1.3639 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -1.3822 -1.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 -0.9563 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 -0.6118 -2.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 -0.2130 -3.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 -0.1348 -2.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 -0.4729 -1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 -0.8793 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -1.2022 0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -1.0374 1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 0.0078 0.8422 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5964 0.4108 2.0526 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2672 1.6227 1.8654 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6498 2.1626 3.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3817 1.5700 4.2648 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 3.3681 3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4617 1.3407 0.9874 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3217 2.4197 0.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9304 0.9340 -0.3891 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9906 0.7061 -1.2687 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -0.3252 -0.1768 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4998 -0.7571 -1.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -2.9898 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1523 -2.3628 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -1.7695 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 -0.6552 -3.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 0.0441 -4.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 0.1806 -3.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2204 -0.4265 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -1.1603 1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4841 0.8890 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6019 2.3664 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2884 4.0889 2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 0.4290 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1015 2.2400 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 1.7479 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2444 -0.2609 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 -1.0932 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -1.7350 -1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 12 7 1 0 25 15 1 0 3 27 1 0 3 28 1 0 4 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 15 35 1 6 17 36 1 6 20 37 1 0 21 38 1 1 22 39 1 0 23 40 1 6 24 41 1 0 25 42 1 1 26 43 1 0 M END