Mol:BMAXDP--0012
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 |
| − | 2.3090 1.2090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 1.2090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3122 0.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.3122 0.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.1043 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1043 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2633 0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2633 0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4712 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4712 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4223 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4223 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6302 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6302 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5812 -2.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5812 -2.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1533 1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1533 1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8475 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8475 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 -1.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7281 -1.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 16 2 0 0 0 0 | + | 10 16 2 0 0 0 0 |
| − | 7 9 1 1 0 0 0 | + | 7 9 1 1 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 8 14 1 0 0 0 0 | + | 8 14 1 0 0 0 0 |
| − | 8 15 2 0 0 0 0 | + | 8 15 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXDP--0012 | + | ID BMAXDP--0012 |
| − | NAME L-Carnosine | + | NAME L-Carnosine |
| − | FORMULA C9H14N4O3 | + | FORMULA C9H14N4O3 |
| − | EXACTMASS 226.1065 | + | EXACTMASS 226.1065 |
| − | AVERAGEMASS 226.2326 | + | AVERAGEMASS 226.2326 |
| − | SMILES NCCC(=O)N[C@@H](Cc(c1)ncn1)C(O)=O | + | SMILES NCCC(=O)N[C@@H](Cc(c1)ncn1)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00386 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00386 |
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
2.3090 1.2090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.3299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 1.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 0.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1043 1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 -0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6302 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5812 -2.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1533 1.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8475 2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -1.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
10 16 2 0 0 0 0
7 9 1 1 0 0 0
7 6 1 0 0 0 0
6 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 5 1 0 0 0 0
5 4 2 0 0 0 0
8 14 1 0 0 0 0
8 15 2 0 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMAXDP--0012
NAME L-Carnosine
FORMULA C9H14N4O3
EXACTMASS 226.1065
AVERAGEMASS 226.2326
SMILES NCCC(=O)N[C@@H](Cc(c1)ncn1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00386
M END
