HMDB0032060 RDKit 3D 2-Butyl-4-methylphenol 28 28 0 0 0 0 0 0 0 0999 V2000 3.9667 0.8914 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.2118 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 0.0166 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -1.0144 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 -0.6441 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5034 0.0525 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 0.4405 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 1.1898 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0257 0.0951 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -0.5961 1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 -0.9845 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 -1.6722 2.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 1.4277 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 1.6509 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 0.4680 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -0.1814 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -1.2128 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 0.1376 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 1.0020 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -0.8878 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -2.0179 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 0.3086 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 0.9085 -2.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 2.2862 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7578 1.0024 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 0.4023 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 -0.8609 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 -1.9962 1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 5 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 M END