Mol:BMFYS4HOq002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
6 5 0 0 1 0 0 0 0 0999 V2000
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 1 1 0 0 0
3 2 1 0 0 0 0
2 1 1 1 0 0 0
3 5 1 0 0 0 0
2 6 1 0 0 0 0
S SKP 7
ID BMFYS4HOq002
NAME (S,S)-Butane-2,3-diol
FORMULA C4H10O2
EXACTMASS 90.068
AVERAGEMASS 90.121
SMILES C[C@H](O)[C@H](C)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03046
M END
