Mol:BMFYS2HOf004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 7 6 0 0 0 0 0 0 0 0999 V2000 | + | 7 6 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.5083 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5083 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1579 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1579 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8074 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8074 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5542 -1.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5542 -1.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3042 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3042 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5521 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5521 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5530 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5530 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 4 7 2 0 0 0 0 | + | 4 7 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYS2HOf004 | + | ID BMFYS2HOf004 |
| − | NAME Isethionic acid | + | NAME Isethionic acid |
| − | FORMULA C2H6O4S | + | FORMULA C2H6O4S |
| − | EXACTMASS 125.9986 | + | EXACTMASS 125.9986 |
| − | AVERAGEMASS 126.1326 | + | AVERAGEMASS 126.1326 |
| − | SMILES OCCS(O)(=O)=O | + | SMILES OCCS(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05123 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05123 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
7 6 0 0 0 0 0 0 0 0999 V2000
0.5083 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1579 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5542 -1.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3042 -1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5521 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5530 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 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
4 5 2 0 0 0 0
4 6 1 0 0 0 0
4 7 2 0 0 0 0
S SKP 7
ID BMFYS2HOf004
NAME Isethionic acid
FORMULA C2H6O4S
EXACTMASS 125.9986
AVERAGEMASS 126.1326
SMILES OCCS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05123
M END
