Mol:BMFYB6DAk007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
4.5981 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7321 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2320 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2320 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 9 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 10 1 4 0 0 0
7 13 1 0 0 0 0
7 14 2 0 0 0 0
3 7 1 0 0 0 0
6 12 1 0 0 0 0
6 11 2 0 0 0 0
5 6 1 0 0 0 0
S SKP 7
ID BMFYB6DAk007
NAME Homocitric acid
FORMULA C7H10O7
EXACTMASS 206.0426
AVERAGEMASS 206.1501
SMILES OC(=O)CCC(O)(CC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01251
M END
