Mol:BMMCIZ--o004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 0 0 0 0 0 0999 V2000
3.0878 -0.6697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -0.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 -1.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 -1.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 8 1 0 0 0 0
3 2 1 0 0 0 0
5 6 1 0 0 0 0
2 1 2 0 0 0 0
6 7 1 0 0 0 0
1 5 1 0 0 0 0
7 9 2 0 0 0 0
S SKP 7
ID BMMCIZ--o004
NAME 3-Methyl-imidazole acetaldehyde
FORMULA C6H8N2O
EXACTMASS 124.0636
AVERAGEMASS 124.1406
SMILES O=CCc(n1)cn(C)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05827
M END
