Mol:BMAAS3HLd001
From Metabolomics.JP
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
