HMDB0036006 RDKit 3D Xanthopurpurin 26 28 0 0 0 0 0 0 0 0999 V2000 -0.4327 -2.6804 0.0955 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -1.4247 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -0.6400 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -1.2185 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0174 -0.4523 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 0.9292 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 1.4827 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 0.7350 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.3426 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 2.5853 -0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 0.5610 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 1.1215 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 2.4643 -0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 0.3142 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 -1.0473 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 -1.8185 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 -1.6013 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -0.8257 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 -2.3079 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0084 -0.8882 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8439 1.5485 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6084 2.5584 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 3.1870 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 0.7711 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9242 -2.0186 0.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -2.6772 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 2 1 0 8 3 1 0 18 11 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 13 23 1 0 14 24 1 0 16 25 1 0 17 26 1 0 M END