Sodium Hydroxide RDKit 2D 2 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ Hydrochloric Acid RDKit 2D 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 M END $$$$ Dihydroanthraquinone RDKit 2D 16 18 0 0 0 0 0 0 0 0999 V2000 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 6 16 2 0 14 1 1 0 5 14 2 0 12 7 1 0 M END $$$$ 5-hydroxy-2-methyl-4,4a,9,9a-tetrahydroanthracene-9,10-dione RDKit 2D 18 20 0 0 0 0 0 0 0 0999 V2000 3.2358 -2.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 3.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 11 16 2 0 8 17 1 0 4 18 2 0 15 2 1 0 12 3 1 0 10 5 1 0 M END $$$$ ethanol RDKit 2D 3 2 0 0 0 0 0 0 0 0999 V2000 -0.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 M END $$$$ H RDKit 2D 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 H 0 0 0 0 0 15 0 0 0 0 0 0 M END $$$$ 13C RDKit 2D 1 0 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M ISO 1 1 13 M END $$$$ 5-hydroxy-2-methyl-1,4,4a,9a-tetrahydroanthracene-9,10-dione RDKit 2D 18 20 0 0 0 0 0 0 0 0999 V2000 3.2358 -2.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 3.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 11 16 2 0 8 17 1 0 4 18 2 0 15 2 1 0 12 3 1 0 10 5 1 0 M END $$$$ 5-hydroxy-2-methyl-1,4-dihydroanthracene-9,10-dione RDKit 2D 18 20 0 0 0 0 0 0 0 0999 V2000 3.2358 -2.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -1.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8422 0.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1518 1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8168 1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 3.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 11 16 2 0 8 17 1 0 4 18 2 0 15 2 1 0 12 3 1 0 5 10 2 0 M END > (9) 1 > (9) 2 $$$$