HMDB0033882 RDKit 3D Glycyrol 45 48 0 0 0 0 0 0 0 0999 V2000 0.8468 0.9264 1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5415 0.9638 -0.0303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 -0.1581 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 -0.5095 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 0.2935 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 0.1846 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 1.2541 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 1.1353 1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 2.6058 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -1.6587 -2.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 -2.0096 -2.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6556 -2.4288 -2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -2.0739 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 -2.7877 -1.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -2.4807 -1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 -3.1533 -1.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -1.3687 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 -0.7497 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1331 -1.0979 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9142 -0.2917 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4027 0.8290 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 1.6182 2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0739 1.1728 1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 0.3643 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 0.4145 0.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 -0.5751 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -0.9262 -1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 1.8218 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 -0.0100 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 0.9892 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -0.0541 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 1.3795 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -0.7861 0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9039 1.3817 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.1439 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 1.8939 2.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1303 3.3461 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 2.7803 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 2.8008 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0533 -2.8046 -3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -3.3224 -3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5135 -1.9795 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9602 -0.5726 1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 1.4540 3.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6387 2.0456 2.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 7 9 1 0 4 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 3 1 0 27 13 2 0 26 17 2 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 23 45 1 0 M END