HMDB0001878 RDKit 3D Thymol 25 25 0 0 0 0 0 0 0 0999 V2000 3.7819 0.3397 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2975 0.1829 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 1.2653 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 1.1448 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -0.1266 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 -0.2962 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 1.0038 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -0.4078 -1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3596 -1.2600 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2427 -2.4994 0.1569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 -1.0644 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 0.9829 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 0.8717 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 -0.6638 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 2.2753 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5716 2.0012 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -1.1558 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 1.3580 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 0.7981 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 1.7691 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -0.2389 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 -1.3797 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 0.3902 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -3.3680 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -1.9227 -0.1444 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 1 0 9 11 2 0 11 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 10 24 1 0 11 25 1 0 M END