Mol:BMFYB5DAg002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 0 0 0 0 0 0999 V2000
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 1 2 0 0 0 0
1 9 1 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
5 11 2 0 0 0 0
3 6 1 0 0 0 0
6 12 1 0 0 0 0
6 13 2 0 0 0 0
12 7 1 0 0 0 0
S SKP 7
ID BMFYB5DAg002
NAME (E) -3-Methoxycarbonylpent-2-enedioic acid
CAS_RN 65146-89-6
FORMULA C7H8O6
EXACTMASS 188.032
AVERAGEMASS 188.1348
SMILES COC(=O)C(CC(O)=O)=CC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11514
M END
