Mol:BMACXXCAq002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.5000 0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5000 0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.0000 1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 1 1 0 0 0 | + | 8 10 1 1 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 9 13 2 0 0 0 0 | + | 9 13 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 0 0 0 |
| − | 11 15 2 0 0 0 0 | + | 11 15 2 0 0 0 0 |
| − | 1 11 1 6 0 0 0 | + | 1 11 1 6 0 0 0 |
| − | 4 16 1 6 0 0 0 | + | 4 16 1 6 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACXXCAq002 | + | ID BMACXXCAq002 |
| − | NAME L-Pretyrosine | + | NAME L-Pretyrosine |
| − | FORMULA C10H13NO5 | + | FORMULA C10H13NO5 |
| − | EXACTMASS 227.0793 | + | EXACTMASS 227.0793 |
| − | AVERAGEMASS 227.2139 | + | AVERAGEMASS 227.2139 |
| − | SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)C[C@H](N)C(O)=O | + | SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)C[C@H](N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00826 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00826 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
3.5000 0.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3660 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 1 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
2 1 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
11 14 1 0 0 0 0
11 15 2 0 0 0 0
1 11 1 6 0 0 0
4 16 1 6 0 0 0
S SKP 7
ID BMACXXCAq002
NAME L-Pretyrosine
FORMULA C10H13NO5
EXACTMASS 227.0793
AVERAGEMASS 227.2139
SMILES O[C@H](C=1)C=C[C@@](C1)(C(O)=O)C[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00826
M END
