Mol:BMAAS3HLd001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 7 6 0 0 1 0 0 0 0 0999 V2000 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 1 0 0 0 2 1 1 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 S SKP 7 ID BMAAS3HLd001 NAME 3-Chloro-D-alanine FORMULA C3H6ClNO2 EXACTMASS 123.0087 AVERAGEMASS 123.5379 SMILES N[C@H](CCl)C(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02634 M END
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