Mol:BMAAS3SF0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 8 7 0 0 1 0 0 0 0 0999 V2000 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 3 2 1 0 0 0 0 2 4 1 4 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMAAS3SF0009 NAME Thiocysteine FORMULA C3H7NO2S2 EXACTMASS 152.9918 AVERAGEMASS 153.2252 SMILES NC(C(O)=O)CSS KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01962 M END