Mol:PR100848
From Metabolomics.JP
11 10 0 0 1 0 0 0 0 0999 V2000 19.7195 -16.5101 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 20.9351 -15.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4982 -15.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7136 -17.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3630 -15.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1506 -16.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3526 -15.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5601 -16.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7677 -15.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3470 -14.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5632 -17.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 1 2 1 0 0 0 7 8 1 0 0 0 1 3 1 0 0 0 8 9 1 0 0 0 1 4 2 0 0 0 7 10 1 6 0 0 1 5 2 0 0 0 8 11 2 0 0 0 S SKP 7 CAS_RN 1637-71-4 NAME S-Sulfocysteine ID PR100848 FORMULA C3H7NO5S2 EXACTMASS 200.97656371899998 AVERAGEMASS 201.22342 SMILES N[C@@H](C(O)=O)CSS(O)(=O)=O M END