HMDB0032375 RDKit 3D (+/-)-4-Mercapto-4-methyl-2-pentanol 22 21 0 0 0 0 0 0 0 0999 V2000 2.0423 -0.8625 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 0.3688 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 0.0742 1.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 0.9205 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8785 0.0273 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 0.8350 -0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.3359 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -1.5012 -1.0419 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 -1.7676 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1615 -0.9533 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -0.8419 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 1.1451 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -0.5380 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 1.1558 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 1.8962 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 0.3872 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 1.8333 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0015 0.9335 -1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -0.5999 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 0.5149 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -1.2429 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 -1.4488 -2.3053 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 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 6 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 M END