Mol:BMFYB5DAk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
3.7321 -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
4.5981 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 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
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 6 0 0 0
5 8 1 0 0 0 0
5 9 2 0 0 0 0
1 5 1 0 0 0 0
6 10 1 0 0 0 0
6 11 2 0 0 0 0
2 6 1 0 0 0 0
7 12 1 0 0 0 0
7 13 2 0 0 0 0
3 7 1 1 0 0 0
3 14 1 6 0 0 0
S SKP 7
ID BMFYB5DAk001
NAME (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)C[C@H](C(O)=O)[C@@](C)(O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04593
M END
