Mol:BMMCBZ1Sq004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 9 0 0 1 0 0 0 0 0999 V2000
2.8660 1.2500 0.0000 C 0 0 3 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 4 0 0 0
1 9 1 0 0 0 0
7 6 1 0 0 0 0
5 6 2 0 0 0 0
S SKP 7
ID BMMCBZ1Sq004
NAME 1-Phenyl-ethanol
FORMULA C8H10O
EXACTMASS 122.0731
AVERAGEMASS 122.1643
SMILES CC(O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07112
M END
