Mol:BMFYB4DAs010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
4 10 1 0 0 0 0
3 4 1 0 0 0 0
4 11 2 0 0 0 0
2 12 1 4 0 0 0
1 8 1 0 0 0 0
2 5 1 0 0 0 0
2 3 1 0 0 0 0
5 6 1 0 0 0 0
1 9 2 0 0 0 0
6 7 1 0 0 0 0
S SKP 7
ID BMFYB4DAs010
NAME 2-Propyl-malic acid
FORMULA C7H12O5
EXACTMASS 176.0684
AVERAGEMASS 176.1671
SMILES CCCC(O)(CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05994
M END
