HMDB0240565 RDKit 3D Umbelliferone sulfate 21 22 0 0 0 0 0 0 0 0999 V2000 -3.8603 -2.2218 0.4487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -1.3192 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -0.0293 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5517 0.9887 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.6080 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 1.5806 -0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 1.2214 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -0.1095 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 -0.3789 -0.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 -0.3872 0.8478 S 0 0 0 0 0 6 0 0 0 0 0 0 3.8218 0.9343 1.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 -1.4453 1.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 -0.7593 0.3833 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5117 -1.0594 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -0.7105 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.6284 0.1354 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5294 0.1760 0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 2.0054 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5903 2.6235 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 2.0104 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -2.0997 -0.1057 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 1 0 10 11 2 0 10 12 2 0 10 13 1 0 8 14 1 0 14 15 2 0 15 16 1 0 16 2 1 0 15 5 1 0 3 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 14 21 1 0 M CHG 1 13 -1 M END