Mol:BMACBZHOg011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 18 0 0 1 0 0 0 0 0999 V2000 | + | 18 18 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.2500 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 | + | 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.7500 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 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 16 9 2 0 0 0 0 | + | 16 9 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 1 1 0 0 0 0 | + | 7 1 1 0 0 0 0 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 18 2 0 0 0 0 | + | 11 18 2 0 0 0 0 |
| − | 15 13 1 0 0 0 0 | + | 15 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACBZHOg011 | + | ID BMACBZHOg011 |
| − | NAME N-Acetyl-L-tyrosine ethyl ester | + | NAME N-Acetyl-L-tyrosine ethyl ester |
| − | FORMULA C13H17NO4 | + | FORMULA C13H17NO4 |
| − | EXACTMASS 251.1157 | + | EXACTMASS 251.1157 |
| − | AVERAGEMASS 251.2784 | + | AVERAGEMASS 251.2784 |
| − | SMILES CCOC(=O)[C@@H](NC(C)=O)Cc(c1)ccc(O)c1 | + | SMILES CCOC(=O)[C@@H](NC(C)=O)Cc(c1)ccc(O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01657 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01657 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 1 0 0 0 0 0999 V2000
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 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 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7500 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
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8 7 1 0 0 0 0
16 9 2 0 0 0 0
9 8 1 0 0 0 0
8 10 1 6 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 1 1 0 0 0 0
4 17 1 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 18 2 0 0 0 0
15 13 1 0 0 0 0
13 14 1 0 0 0 0
S SKP 7
ID BMACBZHOg011
NAME N-Acetyl-L-tyrosine ethyl ester
FORMULA C13H17NO4
EXACTMASS 251.1157
AVERAGEMASS 251.2784
SMILES CCOC(=O)[C@@H](NC(C)=O)Cc(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01657
M END
