Mol:BMCCQI--k004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 17 0 0 0 0 0 0 0 0999 V2000
4.5981 1.0000 0.0000 N 0 0 0 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
3.7321 -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 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
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 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
2.8660 1.0000 0.0000 C 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
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
10 5 1 0 0 0 0
9 10 2 0 0 0 0
9 1 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 10 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
2 11 1 0 0 0 0
4 14 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
S SKP 7
ID BMCCQI--k004
NAME 7,8-Dihydroxy-4-oxo-1H-quinoline-2-carboxylic acid
FORMULA C10H7NO5
EXACTMASS 221.0324
AVERAGEMASS 221.1663
SMILES OC(=O)c(c1)nc(c(O)2)c(ccc(O)2)c(O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01111
M END
