Mol:BMMCQN--k004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 15 0 0 1 0 0 0 0 0999 V2000 | + | 14 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.0878 0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0878 0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.0878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 3 1 1 0 0 0 | + | 2 3 1 1 0 0 0 |
| − | 3 9 2 0 0 0 0 | + | 3 9 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 6 14 2 0 0 0 0 | + | 6 14 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCQN--k004 | + | ID BMMCQN--k004 |
| − | NAME | + | NAME (2S) -5,6-Dioxo-2,3-dihydro-1H-indole-2-carboxylic acid |
| − | FORMULA C9H7NO4 | + | CAS_RN 3571-34-4 |
| − | EXACTMASS 193.0375 | + | FORMULA C9H7NO4 |
| − | AVERAGEMASS 193.1562 | + | EXACTMASS 193.0375 |
| − | SMILES OC(=O)[C@H](C=1)NC(=C2)C(CC(=O)C(=O)2)1 | + | AVERAGEMASS 193.1562 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01693 | + | SMILES OC(=O)[C@H](C=1)NC(=C2)C(CC(=O)C(=O)2)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01693 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:17, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 15 0 0 1 0 0 0 0 0999 V2000
4.0878 0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
8 1 1 0 0 0 0
2 1 1 0 0 0 0
2 3 1 1 0 0 0
3 9 2 0 0 0 0
4 5 1 0 0 0 0
5 13 2 0 0 0 0
6 14 2 0 0 0 0
5 6 1 0 0 0 0
2 10 1 0 0 0 0
6 7 1 0 0 0 0
10 12 2 0 0 0 0
7 8 2 0 0 0 0
10 11 1 0 0 0 0
S SKP 7
ID BMMCQN--k004
NAME (2S) -5,6-Dioxo-2,3-dihydro-1H-indole-2-carboxylic acid
CAS_RN 3571-34-4
FORMULA C9H7NO4
EXACTMASS 193.0375
AVERAGEMASS 193.1562
SMILES OC(=O)[C@H](C=1)NC(=C2)C(CC(=O)C(=O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01693
M END
