Mol:BMFYB7DAk001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 2 0 0 0 0
7 10 2 0 0 0 0
5 4 1 4 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
3 2 1 0 0 0 0
5 6 1 0 0 0 0
2 13 2 0 0 0 0
6 7 1 0 0 0 0
2 1 1 0 0 0 0
5 8 1 0 0 0 0
1 14 2 0 0 0 0
8 9 2 0 0 0 0
1 15 1 0 0 0 0
S SKP 7
ID BMFYB7DAk001
NAME 5-Oxopent-3-ene-1,2,5-tricarboxylic acid
CAS_RN 74305-57-0
FORMULA C8H8O7
EXACTMASS 216.027
AVERAGEMASS 216.1449
SMILES OC(=O)CC(C=CC(=O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04052
M END
