Mol:BMMCHC--f004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
6 6 0 0 0 0 0 0 0 0999 V2000
2.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
S SKP 7
ID BMMCHC--f004
NAME 1,4-Dithiane
FORMULA C4H8S2
EXACTMASS 120.0067
AVERAGEMASS 120.2383
SMILES C(C1)SCCS1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01871
M END
