Mol:BMMCPD--g012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 13 0 0 0 0 0 0 0 0999 V2000
3.6092 1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6092 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 -0.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3412 1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 -1.8606 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
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
4 9 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
9 8 1 0 0 0 0
9 12 2 0 0 0 0
S SKP 7
ID BMMCPD--g012
NAME 4-Pyridoxo-lactone
FORMULA C8H7NO3
EXACTMASS 165.0425
AVERAGEMASS 165.1461
SMILES Cc(n2)c(O)c(C(=O)1)c(c2)CO1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00971
M END
