Mol:BMFYB4DAr006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 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
2 9 1 6 0 0 0
4 10 1 0 0 0 0
4 11 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 5 1 0 0 0 0
S SKP 7
ID BMFYB4DAr006
NAME (3R) -3-Hydroxy-2,2-dimethylbutanedioic acid
CAS_RN 7300-61-0
FORMULA C6H10O5
EXACTMASS 162.0528
AVERAGEMASS 162.1406
SMILES OC(=O)[C@H](O)C(C)(C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01088
M END
