HMDB0000130 RDKit 3D Homogentisic acid 20 20 0 0 0 0 0 0 0 0999 V2000 -2.8418 1.0101 1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 0.0744 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 -0.0766 -0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -0.7398 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1341 -0.2087 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 -1.0864 0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 -0.6978 -0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -1.5365 -0.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 0.5907 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 1.4225 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 1.0677 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0433 1.9503 -0.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2683 -0.7417 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 -0.9291 1.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -1.7175 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 -2.1186 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -2.4908 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 0.9201 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 2.4325 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 2.8751 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 5 1 0 3 13 1 0 4 14 1 0 4 15 1 0 6 16 1 0 8 17 1 0 9 18 1 0 10 19 1 0 12 20 1 0 M END