HMDB0034177 RDKit 3D (S)-4-(4-Methylphenyl)-2-pentanone 29 29 0 0 0 0 0 0 0 0999 V2000 -4.1575 1.6003 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 0.4467 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 -0.6203 0.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 0.6305 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 -0.6478 0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -1.7450 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 -0.4132 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9986 -0.0152 -0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 0.2021 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 0.0261 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 0.2588 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -0.3725 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -0.5903 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2059 2.2301 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 1.2471 -0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 2.2502 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 1.3863 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 0.9991 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -0.9614 1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.4388 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 -1.3031 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -2.3748 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 0.1233 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 0.5174 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 0.1119 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9048 1.2939 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 -0.4237 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2426 -0.5114 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.9064 2.2439 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 M END