Mol:BMMCBZ1Sp009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 0 0 0 0 0 0999 V2000
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 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
2.0000 -0.2500 0.0000 C 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
2.8660 -1.7500 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
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 8 1 0 0 0 0
3 4 2 0 0 0 0
3 1 1 0 0 0 0
8 7 2 0 0 0 0
4 5 1 0 0 0 0
1 2 1 0 0 0 0
1 9 2 0 0 0 0
7 6 1 0 0 0 0
5 6 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sp009
NAME Acetophenone
FORMULA C8H8O
EXACTMASS 120.0575
AVERAGEMASS 120.1485
SMILES CC(=O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07113
M END
