Mol:BMAXS4CAo004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 N 0 0 0 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 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 6 0 0 0
2 1 1 0 0 0 0
1 8 2 0 0 0 0
2 3 1 0 0 0 0
4 10 2 0 0 0 0
4 11 1 0 0 0 0
3 4 1 0 0 0 0
1 9 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
S SKP 7
ID BMAXS4CAo004
NAME N-Formyl-L-aspartic acid
FORMULA C5H7NO5
EXACTMASS 161.0324
AVERAGEMASS 161.1128
SMILES O=CN[C@@H](CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01044
M END
