HMDB0254432 RDKit 3D Menadione bisulfite 27 28 0 0 0 0 0 0 0 0999 V2000 -2.4896 -0.4455 -1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -0.0332 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -0.0287 1.3650 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.1953 0.3961 2.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -1.3848 1.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 1.0526 1.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9249 1.3525 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 1.5726 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 2.7667 -0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 0.5304 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 0.8770 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 -0.1453 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -1.4533 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -1.7922 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 -0.7738 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -1.0561 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -2.2638 -0.5174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3632 0.2474 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -0.4731 -2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -1.4923 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 1.9901 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1587 1.5586 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5009 2.1030 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1321 1.9103 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8064 0.0613 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -2.2694 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 -2.8071 0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 2 0 3 6 1 0 2 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 2 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 M END