Mol:BMFYB8AMf006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 19 18 0 0 1 0 0 0 0 0999 V2000 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 7 6 1 0 0 0 0 6 10 1 4 0 0 0 4 3 1 0 0 0 0 1 16 2 0 0 0 0 8 7 1 0 0 0 0 10 11 1 0 0 0 0 3 2 1 0 0 0 0 11 12 1 0 0 0 0 6 5 1 0 0 0 0 12 13 1 0 0 0 0 2 1 1 0 0 0 0 13 14 1 0 0 0 0 14 18 1 0 0 0 0 1 15 1 0 0 0 0 11 17 2 0 0 0 0 5 4 1 0 0 0 0 14 19 2 0 0 0 0 S SKP 7 ID BMFYB8AMf006 NAME 4- (8-Amino-8-oxo-3-sulfanyloctyl) sulfanyl-4-oxobutanoic acid CAS_RN 68041-51-0 FORMULA C12H21NO4S2 EXACTMASS 307.0911 AVERAGEMASS 307.4314 SMILES SCCC(CCCCC(N)=O)SC(=O)CCC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01169 M END