Mol:BMFYS4HOq004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
6 5 0 0 0 0 0 0 0 0999 V2000
0.8708 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5204 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1699 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8194 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4689 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2213 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 3 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 6 1 0 0 0 0
S SKP 7
ID BMFYS4HOq004
NAME 2-Butyne-1,4-diol
FORMULA C4H6O2
EXACTMASS 86.0367
AVERAGEMASS 86.0892
SMILES OCC#CCO
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02497
M END
