Mol:BMFYB3HOf002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 11 10 0 0 1 0 0 0 0 0999 V2000 3.7321 -0.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 4 9 2 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 7 1 0 0 0 0 7 6 1 0 0 0 0 6 8 1 0 0 0 0 6 5 1 6 0 0 0 S SKP 7 ID BMFYB3HOf002 NAME 2- [(2S) -2-Hydroxypropyl] sulfanylethanesulfonic acid CAS_RN 244301-87-9 FORMULA C5H12O4S2 EXACTMASS 200.0177 AVERAGEMASS 200.2783 SMILES C[C@H](O)CSCCS(O)(=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11498 M END