Mol:BMMCBZ3Sk035
From Metabolomics.JP
(Difference between revisions)
| Line 37: | Line 37: | ||
S SKP 7 | S SKP 7 | ||
ID BMMCBZ3Sk035 | ID BMMCBZ3Sk035 | ||
| − | NAME 4-(2-Amino-3-hydroxy-phenyl)-2,4- | + | NAME 4- (2-Amino-3-hydroxy-phenyl) -2,4-dioxobutanoic acid |
| + | CAS_RN 857760-67-9 | ||
FORMULA C10H9NO5 | FORMULA C10H9NO5 | ||
EXACTMASS 223.048 | EXACTMASS 223.048 | ||
Latest revision as of 16:08, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 0 0 0 0 0 0999 V2000
8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 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
2.8660 -0.0000 0.0000 C 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 11 1 0 0 0 0
8 7 1 0 0 0 0
5 4 1 0 0 0 0
7 6 2 0 0 0 0
4 3 1 0 0 0 0
6 5 1 0 0 0 0
3 2 1 0 0 0 0
5 10 2 0 0 0 0
2 1 1 0 0 0 0
10 9 1 0 0 0 0
1 13 1 0 0 0 0
1 14 2 0 0 0 0
7 12 1 0 0 0 0
4 15 2 0 0 0 0
9 8 2 0 0 0 0
2 16 2 0 0 0 0
S SKP 7
ID BMMCBZ3Sk035
NAME 4- (2-Amino-3-hydroxy-phenyl) -2,4-dioxobutanoic acid
CAS_RN 857760-67-9
FORMULA C10H9NO5
EXACTMASS 223.048
AVERAGEMASS 223.1822
SMILES OC(=O)C(=O)CC(=O)c(c1)c(N)c(O)cc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05645
M END
