Mol:BMFYB6DAk004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8220 -1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 -2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -2.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 11 1 4 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 10 2 0 0 0 0
1 8 1 0 0 0 0
1 9 2 0 0 0 0
2 1 1 0 0 0 0
4 7 1 0 0 0 0
7 14 2 0 0 0 0
7 15 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
6 13 2 0 0 0 0
S SKP 7
ID BMFYB6DAk004
NAME 4-Carboxy-4-hydroxy-2-oxo-adipic acid
FORMULA C7H8O8
EXACTMASS 220.0219
AVERAGEMASS 220.1336
SMILES OC(=O)CC(O)(CC(=O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04115
M END
