HMDB0246973 RDKit 3D Methyl(acetoxymethyl)nitrosamine 17 16 0 0 0 0 0 0 0 0999 V2000 3.0587 -0.6518 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 0.0115 -0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 0.7056 -1.4904 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -0.0520 0.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 0.6289 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 0.4248 0.3124 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2845 -0.8832 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 1.5367 0.8521 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 2.5358 0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -0.0064 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 -0.8009 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -1.6103 -0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 1.6774 -0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.1904 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3814 -0.8364 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -1.5165 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 -1.3536 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 5 13 1 0 5 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 M END