Mol:BMFYB5DAr006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 0 0 0 0 0 0999 V2000
2.8660 -1.5000 0.0000 C 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
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 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 4 1 0 0 0 0
3 2 1 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 9 1 0 0 0 0
3 6 1 0 0 0 0
5 10 1 0 0 0 0
5 11 2 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMFYB5DAr006
NAME 3-Hydroxy-3-methyl-glutaric acid
FORMULA C6H10O5
EXACTMASS 162.0528
AVERAGEMASS 162.1406
SMILES OC(=O)CC(C)(O)CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03761
M END
