HMDB0036183 RDKit 3D 4-(4-Methylphenyl)-2-butanone 26 26 0 0 0 0 0 0 0 0999 V2000 4.1529 0.2526 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 -0.8611 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8434 -1.8267 0.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8525 -0.8361 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 0.4297 -0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 0.3235 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 0.7926 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 0.7023 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.1232 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 0.0268 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -0.3610 -1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8039 -0.2450 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6858 1.2398 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4618 -0.0058 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 0.2985 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -1.6745 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -1.0425 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7795 0.5059 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 1.3112 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 1.2444 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.0775 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8761 0.6237 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7185 0.3796 -1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6379 -1.0519 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -0.8072 -2.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 -0.6195 -2.3360 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 M END