Mol:BMMCPD--o019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 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
4.5981 -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
3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 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
2.8660 -0.2500 0.0000 C 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
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
5 9 1 0 0 0 0
3 2 2 0 0 0 0
4 8 1 0 0 0 0
2 1 1 0 0 0 0
3 10 1 0 0 0 0
1 6 2 0 0 0 0
2 7 1 0 0 0 0
6 5 1 0 0 0 0
9 11 2 0 0 0 0
5 4 2 0 0 0 0
8 12 1 0 0 0 0
S SKP 7
ID BMMCPD--o019
NAME Isopyridoxal
FORMULA C8H9NO3
EXACTMASS 167.0582
AVERAGEMASS 167.162
SMILES O=Cc(c1)c(CO)c(O)c(C)n1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06051
M END
