Mol:BMMCLA--f007
From Metabolomics.JP
(Difference between revisions)
| Line 33: | Line 33: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCLA--f007 | ID BMMCLA--f007 | ||
| − | NAME | + | NAME 2- (5-Oxo-3-sulfo-2H-furan-2-yl) acetic acid |
| + | CAS_RN 174629-22-2 | ||
FORMULA C6H6O7S | FORMULA C6H6O7S | ||
EXACTMASS 221.9834 | EXACTMASS 221.9834 | ||
Latest revision as of 18:00, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
4.0301 1.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 -0.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.9021 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 -1.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5201 -1.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0246 1.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4423 2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -1.4203 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -2.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
4 5 2 0 0 0 0
4 10 1 0 0 0 0
3 9 1 4 0 0 0
3 2 1 0 0 0 0
5 6 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
10 12 2 0 0 0 0
2 1 1 0 0 0 0
6 14 2 0 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
9 6 1 0 0 0 0
S SKP 7
ID BMMCLA--f007
NAME 2- (5-Oxo-3-sulfo-2H-furan-2-yl) acetic acid
CAS_RN 174629-22-2
FORMULA C6H6O7S
EXACTMASS 221.9834
AVERAGEMASS 222.1736
SMILES OC(=O)CC(O1)C(=CC(=O)1)S(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06676
M END
