Mol:BMMCHC--k005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -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 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 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 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 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.7500 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 | + | 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 2 1 1 4 0 0 0 | + | 2 1 1 4 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k005 | + | ID BMMCHC--k005 |
| − | NAME | + | NAME 2,3,4,5-Tetrahydropyridine-2,6-dicarboxylic acid |
| − | FORMULA C7H9NO4 | + | CAS_RN 2353-17-5 |
| − | EXACTMASS 171.0531 | + | FORMULA C7H9NO4 |
| − | AVERAGEMASS 171.1507 | + | EXACTMASS 171.0531 |
| − | SMILES OC(=O)C(C1)N=C(CC1)C(O)=O | + | AVERAGEMASS 171.1507 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03972 | + | SMILES OC(=O)C(C1)N=C(CC1)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03972 | ||
M END | M END | ||
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Latest revision as of 17:40, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 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 1.2500 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 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7500 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
5 4 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
2 1 1 4 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
7 9 1 0 0 0 0
7 10 2 0 0 0 0
2 7 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
6 8 1 0 0 0 0
S SKP 7
ID BMMCHC--k005
NAME 2,3,4,5-Tetrahydropyridine-2,6-dicarboxylic acid
CAS_RN 2353-17-5
FORMULA C7H9NO4
EXACTMASS 171.0531
AVERAGEMASS 171.1507
SMILES OC(=O)C(C1)N=C(CC1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03972
M END
