Mol:BMMCPD--k015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 18 0 0 0 0 0 0 0 0999 V2000 | + | 18 18 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 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 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -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 | + | 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 |
| − | 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 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 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 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 |
| − | 2 11 1 0 0 0 0 | + | 2 11 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 16 1 0 0 0 0 | + | 10 16 1 0 0 0 0 |
| − | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
| − | 10 18 2 0 0 0 0 | + | 10 18 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--k015 | + | ID BMMCPD--k015 |
| − | NAME 5-(3-Carboxy-3-oxo-propenyl)-4,6-dihydroxy-pyridine-2-carboxylic acid | + | NAME 5-(3-Carboxy-3-oxo-propenyl)-4,6-dihydroxy-pyridine-2-carboxylic acid |
| − | FORMULA C10H7NO7 | + | FORMULA C10H7NO7 |
| − | EXACTMASS 253.0222 | + | EXACTMASS 253.0222 |
| − | AVERAGEMASS 253.1651 | + | AVERAGEMASS 253.1651 |
| − | SMILES OC(=O)C(=O)C=Cc(c(O)1)c(O)nc(C(O)=O)c1 | + | SMILES OC(=O)C(=O)C=Cc(c(O)1)c(O)nc(C(O)=O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04826 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04826 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 18 0 0 0 0 0 0 0 0999 V2000
3.7321 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 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 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
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
4 12 1 0 0 0 0
6 13 1 0 0 0 0
11 14 1 0 0 0 0
11 15 2 0 0 0 0
2 11 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 16 1 0 0 0 0
9 17 2 0 0 0 0
10 18 2 0 0 0 0
S SKP 7
ID BMMCPD--k015
NAME 5-(3-Carboxy-3-oxo-propenyl)-4,6-dihydroxy-pyridine-2-carboxylic acid
FORMULA C10H7NO7
EXACTMASS 253.0222
AVERAGEMASS 253.1651
SMILES OC(=O)C(=O)C=Cc(c(O)1)c(O)nc(C(O)=O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04826
M END
