HMDB0244936 RDKit 3D 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid 37 40 0 0 0 0 0 0 0 0999 V2000 -0.5547 -0.3006 2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 0.0338 1.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 0.0865 3.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1765 0.3477 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 0.7218 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 1.0315 -0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0575 0.9555 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 0.5889 -1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 0.2827 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 -0.0966 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4902 -1.4165 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4148 -2.4334 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 -3.7569 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 -4.0980 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 -5.3145 -0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3118 -3.1258 -0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 -1.8219 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 -0.8640 -0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.4084 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3564 1.3664 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 2.7094 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 3.6248 0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 3.1436 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.1960 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 0.8366 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5053 -0.3549 3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 0.7699 1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9856 1.3210 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 1.1945 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 0.5564 -2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 -2.1890 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 -4.5214 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -3.4266 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 1.0196 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 3.8167 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 4.2026 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2309 2.5059 -0.0034 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 9 4 1 0 25 10 1 0 17 11 1 0 25 19 1 0 3 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 12 31 1 0 13 32 1 0 16 33 1 0 20 34 1 0 22 35 1 0 23 36 1 0 24 37 1 0 M END