Mol:BMAAS4HO0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 1 0 0 0 0 0999 V2000
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 2 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
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
2 5 1 1 0 0 0
3 4 1 6 0 0 0
3 6 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
S SKP 7
ID BMAAS4HO0003
NAME L-Allo-threonine
FORMULA C4H9NO3
EXACTMASS 119.0582
AVERAGEMASS 119.1192
SMILES C[C@@H](O)[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05519
M END
