Mol:BMACBZHOg013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 15 0 0 1 0 0 0 0 0999 V2000 | + | 15 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 14 11 2 0 0 0 0 | + | 14 11 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 12 1 4 0 0 0 | + | 10 12 1 4 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 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 2 0 0 0 0 | + | 8 3 2 0 0 0 0 |
| − | 9 3 1 0 0 0 0 | + | 9 3 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 13 2 1 0 0 0 0 | + | 13 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACBZHOg013 | + | ID BMACBZHOg013 |
| − | NAME | + | NAME Ethyl (2S) -2-amino-3- (4-hydroxyphenyl) propanoic acid |
| − | FORMULA C11H15NO3 | + | CAS_RN 949-67-7 |
| − | EXACTMASS 209.1051 | + | FORMULA C11H15NO3 |
| − | AVERAGEMASS 209.2417 | + | EXACTMASS 209.1051 |
| − | SMILES CCOC(=O)C(N)Cc(c1)ccc(O)c1 | + | AVERAGEMASS 209.2417 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01458 | + | SMILES CCOC(=O)C(N)Cc(c1)ccc(O)c1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01458 | ||
M END | M END | ||
| − | |||
Latest revision as of 10:44, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
14 11 2 0 0 0 0
11 10 1 0 0 0 0
10 12 1 4 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 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 2 0 0 0 0
9 3 1 0 0 0 0
6 15 1 0 0 0 0
11 13 1 0 0 0 0
13 2 1 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMACBZHOg013
NAME Ethyl (2S) -2-amino-3- (4-hydroxyphenyl) propanoic acid
CAS_RN 949-67-7
FORMULA C11H15NO3
EXACTMASS 209.1051
AVERAGEMASS 209.2417
SMILES CCOC(=O)C(N)Cc(c1)ccc(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01458
M END
