HMDB0033597 RDKit 3D 4-(4-Methoxyphenyl)-2-butanone 27 27 0 0 0 0 0 0 0 0999 V2000 -4.8644 0.9278 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 0.4498 -0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 0.0646 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 0.1240 0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -0.2679 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 -0.7234 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 -1.1421 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2301 0.0907 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6471 -0.2840 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 0.7259 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 -1.4343 0.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5779 -0.7929 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8991 -0.3932 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3469 1.6500 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3209 0.0811 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7058 1.4689 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 0.4864 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -0.1988 2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6774 -1.8946 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -1.6034 1.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8824 0.9038 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 0.4215 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0315 0.9935 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3227 1.6226 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6174 0.3177 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.1524 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 -0.4412 -2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 6 12 1 0 12 13 2 0 13 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 M END