Mol:BMMCPD--k007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
4.5981 1.2500 0.0000 N 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
3.7321 -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 -0.2500 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 2.2500 0.0000 C 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
2.8660 -0.7500 0.0000 C 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
2.0000 -0.2500 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 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
2 8 2 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
3 9 1 0 0 0 0
4 12 1 0 0 0 0
12 13 1 0 0 0 0
1 7 1 0 0 0 0
S SKP 7
ID BMMCPD--k007
NAME 4-Methoxy-1-methyl-2-oxopyridine-3-carboxylic acid
CAS_RN 16803-45-5
FORMULA C8H9NO4
EXACTMASS 183.0531
AVERAGEMASS 183.1614
SMILES COC(C=1)=C(C(O)=O)C(=O)N(C)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04447
M END
