Mol:BMFYS8CAf001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
12 11 0 0 1 0 0 0 0 0999 V2000
2.8660 -2.7500 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
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
8 9 1 0 0 0 0
6 10 1 4 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMFYS8CAf001
NAME Dihydro-lipoic acid
FORMULA C8H16O2S2
EXACTMASS 208.0591
AVERAGEMASS 208.3434
SMILES SCCC(S)CCCCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02147
M END
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