HMDB0033303 RDKit 3D Anofinic acid 27 28 0 0 0 0 0 0 0 0999 V2000 -3.1301 0.6962 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 -0.1413 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 -1.3375 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 0.6501 -1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 0.9168 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 0.4416 -0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 0.7047 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8002 0.2310 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.5173 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 1.2015 -1.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 0.0253 0.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 -0.5178 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 -0.7921 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1668 -0.3061 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.5719 0.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 1.4165 1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 0.0064 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9305 1.1933 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 -1.8487 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3411 -2.0627 -1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 -0.9796 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 1.0324 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2756 1.4999 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 1.2842 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 -0.9731 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 -0.9024 1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 -1.3840 2.0493 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 2 1 0 14 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END