Mol:BMMCPD--k008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 0 0 0 0 0 0999 V2000
3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 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
3.7321 -0.2500 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
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 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
5.4641 -0.2500 0.0000 C 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
2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 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
6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
8 12 1 0 0 0 0
8 11 2 0 0 0 0
4 8 1 0 0 0 0
9 13 1 0 0 0 0
9 14 2 0 0 0 0
5 9 1 0 0 0 0
3 10 1 0 0 0 0
2 7 1 0 0 0 0
S SKP 7
ID BMMCPD--k008
NAME 5-Hydroxy-6-methylpyridine-3,4-dicarboxylic acid
CAS_RN 479-30-1
FORMULA C8H7NO5
EXACTMASS 197.0324
AVERAGEMASS 197.1449
SMILES OC(=O)c(c1)c(C(O)=O)c(O)c(C)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04604
M END
