Mol:BMMCPD--k014
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 |
| − | 4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 N 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 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 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 | + | 4.5981 -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 3 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 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 |
| − | 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -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 | + | 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 7 1 4 0 0 0 | + | 5 7 1 4 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 6 11 1 4 0 0 0 | + | 6 11 1 4 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 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 9 13 2 0 0 0 0 | + | 9 13 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 10 15 2 0 0 0 0 | + | 10 15 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--k014 | + | ID BMMCPD--k014 |
| − | NAME 5-( | + | NAME 4,6-Dioxo-5- (3-oxopropyl) -1H-pyridine-2-carboxylic acid |
| − | FORMULA C9H11NO5 | + | CAS_RN 2389-30-2 |
| − | EXACTMASS 213.0637 | + | FORMULA C9H11NO5 |
| − | AVERAGEMASS 213.1873 | + | EXACTMASS 213.0637 |
| − | SMILES O=CCCC(C(O)=1)C(O)N=C(C(O)=O)C1 | + | AVERAGEMASS 213.1873 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05654 | + | SMILES O=CCCC(C(O)=1)C(O)N=C(C(O)=O)C1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05654 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:04, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
15 15 0 0 1 0 0 0 0 0999 V2000
4.5981 1.7500 0.0000 N 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 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
5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 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
7.1962 -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
6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 0 0 0
5 7 1 4 0 0 0
7 8 1 0 0 0 0
6 11 1 4 0 0 0
4 5 1 0 0 0 0
8 9 1 0 0 0 0
4 12 1 0 0 0 0
6 1 1 0 0 0 0
2 10 1 0 0 0 0
1 2 2 0 0 0 0
9 13 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
10 14 1 0 0 0 0
10 15 2 0 0 0 0
S SKP 7
ID BMMCPD--k014
NAME 4,6-Dioxo-5- (3-oxopropyl) -1H-pyridine-2-carboxylic acid
CAS_RN 2389-30-2
FORMULA C9H11NO5
EXACTMASS 213.0637
AVERAGEMASS 213.1873
SMILES O=CCCC(C(O)=1)C(O)N=C(C(O)=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05654
M END
