HMDB0035770 RDKit 3D 5-Isopropyl-2-methylphenol 25 25 0 0 0 0 0 0 0 0999 V2000 3.6858 -0.1916 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -0.1310 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 -0.9895 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -0.8524 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5724 0.1259 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 0.2360 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 0.4277 -1.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 -1.0444 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1551 0.9809 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 0.8654 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 1.7518 1.6474 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -1.2137 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 0.1765 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 0.5243 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 -1.7604 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -1.5536 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 1.0918 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 1.0711 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 -0.5317 -2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 0.9384 -2.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -1.7610 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 -1.4647 1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6467 -0.8849 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 1.7385 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 2.4505 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 1 0 9 10 2 0 10 11 1 0 10 2 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 M END