HMDB0001466 RDKit 3D Dimethylaniline-N-oxide 21 21 0 0 0 0 0 0 0 0999 V2000 -1.8838 -0.8621 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 0.3755 0.4049 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8419 0.7869 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 1.3397 1.3324 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1284 0.1561 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.9248 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8919 -1.1053 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 -0.2348 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4214 0.8544 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 1.0238 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 -1.5924 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 -1.3082 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6555 -0.6242 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 0.7380 -0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 1.8104 -1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 0.0611 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -1.6157 -0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -1.9584 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -0.3711 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 1.5611 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 1.8899 1.2831 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 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 M CHG 2 2 1 4 -1 M END