HMDB0031866 RDKit 3D 2-Methyl-4-phenyl-2-butanol 28 28 0 0 0 0 0 0 0 0999 V2000 -3.1065 -0.6916 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 -0.3996 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 0.8569 -0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 -1.4598 -0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 -0.2987 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 -0.0097 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 0.0988 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 1.3381 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 1.5218 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1622 0.4629 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7013 -0.8046 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -0.9613 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 -1.3640 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 0.3040 1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1232 -1.0145 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 0.6592 -1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 1.7086 -0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 1.2119 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0682 -2.2857 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 0.5065 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5661 -1.2456 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -0.8395 -1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2426 0.9646 -1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 2.2284 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 2.4967 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 0.5778 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 -1.6214 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -1.9402 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 M END