Mol:BMFYB6HOs001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
9 8 0 0 1 0 0 0 0 0999 V2000
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 3 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
4.5981 0.7500 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 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 4 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
1 9 1 0 0 0 0
S SKP 7
ID BMFYB6HOs001
NAME 2-Ethyl-1-hexanol
FORMULA C8H18O
EXACTMASS 130.1357
AVERAGEMASS 130.2279
SMILES CCCCC(CC)CO
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02498
M END
