Mol:BMMCBZ3Sm054
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 1 0 0 0 0 0999 V2000 | + | 13 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 7 11 1 6 0 0 0 | + | 7 11 1 6 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ3Sm054 | + | ID BMMCBZ3Sm054 |
| − | NAME L-Adrenaline | + | NAME L-Adrenaline |
| − | FORMULA C9H13NO3 | + | FORMULA C9H13NO3 |
| − | EXACTMASS 183.0895 | + | EXACTMASS 183.0895 |
| − | AVERAGEMASS 183.2044 | + | AVERAGEMASS 183.2044 |
| − | SMILES CNC[C@H](O)c(c1)cc(O)c(O)c1 | + | SMILES CNC[C@H](O)c(c1)cc(O)c(O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00788 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00788 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 1 0 0 0 0 0999 V2000
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 7 1 0 0 0 0
3 4 2 0 0 0 0
7 8 1 0 0 0 0
4 5 1 0 0 0 0
8 9 1 0 0 0 0
5 6 2 0 0 0 0
9 10 1 0 0 0 0
6 1 1 0 0 0 0
7 11 1 6 0 0 0
1 2 2 0 0 0 0
1 12 1 0 0 0 0
2 3 1 0 0 0 0
2 13 1 0 0 0 0
S SKP 7
ID BMMCBZ3Sm054
NAME L-Adrenaline
FORMULA C9H13NO3
EXACTMASS 183.0895
AVERAGEMASS 183.2044
SMILES CNC[C@H](O)c(c1)cc(O)c(O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00788
M END
