Mol:BMMCBZ3So031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 0 0 0 0 0 0999 V2000
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
4.5981 -1.7500 0.0000 C 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 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 O 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 0 0 0
4 12 1 0 0 0 0
5 4 2 0 0 0 0
3 10 1 0 0 0 0
4 3 1 0 0 0 0
10 11 1 0 0 0 0
3 2 2 0 0 0 0
1 7 1 0 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 6 2 0 0 0 0
8 9 2 0 0 0 0
S SKP 7
ID BMMCBZ3So031
NAME 3-Methoxy-4-hydroxy-phenyl-acetaldehyde
FORMULA C9H10O3
EXACTMASS 166.0629
AVERAGEMASS 166.1739
SMILES O=CCc(c1)cc(OC)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05581
M END
