HMDB0005175 RDKit 3D Homovanillin 22 22 0 0 0 0 0 0 0 0999 V2000 -2.0608 1.7798 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 0.5924 0.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 -0.1335 0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 0.2816 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.4344 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 0.0294 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 0.9183 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 1.1883 -1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 -1.5901 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.0264 -0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5445 -1.2984 -0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -1.6830 -0.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 1.5864 2.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 2.5278 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0463 2.2507 1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 1.1960 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 -0.8391 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 0.5813 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 1.3296 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -2.1503 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 -2.9308 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -1.1758 -0.2960 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 1 0 7 8 2 0 5 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 3 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 9 20 1 0 10 21 1 0 12 22 1 0 M END