HMDB0060015 RDKit 3D Phenol sulphate 17 17 0 0 0 0 0 0 0 0999 V2000 1.9393 -0.0342 -1.8397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 -0.0715 -0.4880 S 0 0 0 0 0 6 0 0 0 0 0 0 3.4558 -1.2903 -0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 1.2715 -0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.1110 0.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 -0.0993 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 1.0841 0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 1.0675 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 -0.1383 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -1.3326 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 -1.3088 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 1.5889 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 2.0269 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 2.0270 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 -0.1479 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 -2.2832 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.2487 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 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 6 1 0 4 12 1 0 7 13 1 0 8 14 1 0 9 15 1 0 10 16 1 0 11 17 1 0 M END