HMDB0011719 RDKit 3D Homovanillic acid sulfate 27 27 0 0 0 0 0 0 0 0999 V2000 -1.3631 2.7052 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7118 1.4313 -0.0511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 0.4258 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 0.6456 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 -0.3317 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 -0.0286 0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 0.5078 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 0.6800 -1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0116 0.8217 -0.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 -1.5724 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -1.8137 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1483 -0.8090 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -1.0172 -0.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5861 -1.5927 0.1726 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.8638 -1.9821 1.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 -2.7936 -0.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6481 -0.3182 0.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 3.2403 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3139 3.2837 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 2.5951 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7878 1.6301 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.9519 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 0.7352 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6452 0.2144 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -2.3765 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5152 -2.7793 -1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0667 -0.5495 1.3868 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 7 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 0 12 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 17 27 1 0 M END