Mol:BMMCBZ2Ok004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 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
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 0 0 0 0
2 8 1 0 0 0 0
4 5 2 0 0 0 0
8 12 1 0 0 0 0
5 6 1 0 0 0 0
8 11 2 0 0 0 0
6 1 2 0 0 0 0
1 7 1 0 0 0 0
1 2 1 0 0 0 0
7 10 2 0 0 0 0
2 3 2 0 0 0 0
7 9 1 0 0 0 0
S SKP 7
ID BMMCBZ2Ok004
NAME Phthalic acid
FORMULA C8H6O4
EXACTMASS 166.0266
AVERAGEMASS 166.1308
SMILES OC(=O)c(c1)c(ccc1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01606
M END
