HMDB0061177 RDKit 3D Pyridine N-oxide glucuronide 33 34 0 0 0 0 0 0 0 0999 V2000 -2.0421 3.3392 0.8463 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 2.2342 1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0941 2.2726 2.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 1.0134 0.8260 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9668 1.3260 -0.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 0.2073 -0.5883 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9160 0.5093 -1.3722 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 0.2868 -0.8784 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1263 -0.2880 -1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 -0.5363 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7757 -0.1876 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8089 0.4001 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 0.6310 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -0.8273 -1.1899 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4457 -1.9014 -1.7385 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -1.2486 -0.0392 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8826 -2.2648 -0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -0.0024 0.4184 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5579 -0.3755 1.5004 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 2.8411 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 0.4963 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 -0.2081 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.5646 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -1.0034 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7804 -0.3782 0.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 0.6790 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 1.0937 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -0.2840 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3448 -1.7326 -2.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 -1.5385 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -3.0496 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 0.3458 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 -1.2850 1.3006 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 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 4 1 0 13 8 1 0 3 20 1 0 4 21 1 1 6 22 1 1 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 6 15 29 1 0 16 30 1 1 17 31 1 0 18 32 1 6 19 33 1 0 M CHG 1 8 1 M END