Mol:BMMCPD--k002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 3 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 1.2500 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
4.5981 -1.7500 0.0000 C 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
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 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
2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
7 9 1 0 0 0 0
7 10 2 0 0 0 0
2 7 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
6 8 1 0 0 0 0
S SKP 7
ID BMMCPD--k002
NAME 2,3-Dihydropyridine-2,6-dicarboxylic acid
CAS_RN 16052-12-3
FORMULA C7H7NO4
EXACTMASS 169.0375
AVERAGEMASS 169.1348
SMILES OC(=O)C(C1)N=C(C=C1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03340
M END
