Mol:BMFYB4CAg003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
5.4641 2.5000 0.0000 C 0 0 0 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
4.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 6 0 0 0
3 2 1 0 0 0 0
1 10 1 0 0 0 0
1 9 2 0 0 0 0
2 1 1 0 0 0 0
7 8 1 6 0 0 0
7 6 1 0 0 0 0
5 11 1 0 0 0 0
5 12 2 0 0 0 0
6 5 1 0 0 0 0
7 13 1 0 0 0 0
3 11 1 0 0 0 0
S SKP 7
ID BMFYB4CAg003
NAME (3R) -3- [(3R) -3-Hydroxybutanoyl] oxybutanoic acid
CAS_RN 1117-10-8
FORMULA C8H14O5
EXACTMASS 190.0841
AVERAGEMASS 190.1937
SMILES C[C@@H](O)CC(=O)O[C@H](C)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04546
M END
