Mol:BMFYB5DAk004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 7 1 4 0 0 0
1 9 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
2 3 1 0 0 0 0
3 10 1 4 0 0 0
6 11 1 0 0 0 0
6 12 2 0 0 0 0
3 6 1 0 0 0 0
3 4 1 0 0 0 0
5 13 1 0 0 0 0
5 14 2 0 0 0 0
4 5 1 0 0 0 0
S SKP 7
ID BMFYB5DAk004
NAME 2-Methyl-citric acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)CC(O)(C(O)=O)C(C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02225
M END
