Mol:BMSUM5Ke--09
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0999 V2000 15.9407 -15.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9407 -16.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9407 -17.7721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9407 -19.1979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9407 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1759 -21.3466 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4180 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1759 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6019 -14.5916 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.6019 -13.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5954 -16.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0279 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -16.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -17.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -19.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 2 1 1 0 0 0 2 13 2 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 3 14 1 0 0 0 4 5 1 0 0 0 4 15 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 9 12 1 0 0 0 S SKP 7 NAME (3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate CAS_RN 629647-82-1 ID BMSUM5Ke--09 FORMULA C6H13O7PS EXACTMASS 260.01195996999996 AVERAGEMASS 260.202981 SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O M END
