HMDB0247880 RDKit 3D (S)-3-(2-Methylphenoxy)propane-1,2-diol 27 27 0 0 0 0 0 0 0 0999 V2000 0.4392 1.1497 2.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 0.7488 1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 1.1600 1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 0.7882 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 0.0179 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 -0.3813 -0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -0.0084 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.3752 0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 -1.1584 -1.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2096 -1.4484 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -2.1401 0.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 -0.0997 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2927 -0.2525 -0.7593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9585 1.2033 3.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 0.3995 2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0248 2.1572 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 1.7518 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 1.0831 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 -0.2443 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -0.9837 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1689 -2.0814 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5465 -0.5303 -1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5548 -1.9751 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 -1.5245 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4773 0.4289 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6897 0.4772 -1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6392 -1.1382 -1.0335 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 7 2 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 M END