HMDB0029696 RDKit 3D Mequinol 17 17 0 0 0 0 0 0 0 0999 V2000 -2.8347 -0.6987 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 0.0188 -0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6657 0.1668 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 -0.3922 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.2632 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 0.4194 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 0.5293 0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 0.9898 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 0.8550 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 -0.1298 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -1.7288 0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 -0.7743 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8865 -0.9526 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -0.6983 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -0.1801 0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 1.5261 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 1.3129 -2.2234 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 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 3 1 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 5 14 1 0 7 15 1 0 8 16 1 0 9 17 1 0 M END