HMDB0029823 RDKit 3D 2,4-Diisopropyl-5-methylphenol 34 34 0 0 0 0 0 0 0 0999 V2000 -2.3605 -2.2778 0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 -1.4555 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 -2.0486 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2328 -1.3788 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -1.9634 0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -0.0153 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 0.7223 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8273 1.2231 -1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 0.3306 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0296 0.6125 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 -0.1108 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 0.5748 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 2.0514 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 0.5279 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 -2.1397 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0577 -3.3627 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -2.2288 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -3.1308 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 -2.9477 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 1.7959 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 0.4604 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 1.1360 -2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 2.2361 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 0.1188 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 1.2757 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.5004 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 1.6696 -0.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2985 0.1062 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1488 2.5255 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8876 2.5943 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 2.1235 1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 -0.3401 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 0.3736 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 1.4425 -1.5201 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 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 11 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END