HMDB0000925 RDKit 3D Trimethylamine N-oxide 14 13 0 0 0 0 0 0 0 0999 V2000 1.1633 -0.7065 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0198 0.0033 0.4444 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1901 -0.6487 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 1.3563 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0632 -0.0767 1.7799 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9003 -1.4915 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 -1.1836 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8381 0.0048 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 -0.9070 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -1.5534 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 0.0569 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.5617 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 2.0362 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 1.5480 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 1 6 1 0 1 7 1 0 1 8 1 0 3 9 1 0 3 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 4 14 1 0 M CHG 2 2 1 5 -1 M END