Mol:BMCCCC--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/ |
| − | 17 18 0 0 0 0 0 0 0 0999 V2000 | + | 17 18 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4945 0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4945 0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5000 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5000 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0933 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0933 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8364 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8364 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7024 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7024 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5685 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5685 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5685 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5685 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7024 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7024 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8364 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8364 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1637 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1637 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 12 5 1 0 0 0 0 | + | 12 5 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 13 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 5 17 2 0 0 0 0 | + | 5 17 2 0 0 0 0 |
| − | 11 10 2 0 0 0 0 | + | 11 10 2 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 1 15 2 0 0 0 0 | + | 1 15 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCCC--k005 | + | ID BMCCCC--k005 |
| − | NAME | + | NAME (Z) -4- (3-Hydroxy-1H-inden-2-yl) -2-oxobut-3-enoic acid |
| − | FORMULA C13H10O4 | + | FORMULA C13H10O4 |
| − | EXACTMASS 230.0579 | + | EXACTMASS 230.0579 |
| − | AVERAGEMASS 230.2161 | + | AVERAGEMASS 230.2161 |
| − | SMILES OC(=O)C(O)=CC=C(C1)C(=O)c(c2)c(ccc2)1 | + | SMILES OC(=O)C(O)=CC=C(C1)C(=O)c(c2)c(ccc2)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07718 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07718 |
M END | M END | ||
| − | |||
Latest revision as of 10:48, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
17 18 0 0 0 0 0 0 0 0999 V2000
2.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4945 0.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0933 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8364 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7024 -2.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5685 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5685 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7024 -0.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8364 -1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1637 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0 0 0 0
12 5 1 0 0 0 0
12 11 1 0 0 0 0
13 7 1 0 0 0 0
13 8 1 0 0 0 0
5 6 1 0 0 0 0
5 17 2 0 0 0 0
11 10 2 0 0 0 0
8 9 2 0 0 0 0
6 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
2 16 1 0 0 0 0
1 14 1 0 0 0 0
1 15 2 0 0 0 0
7 6 1 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMCCCC--k005
NAME (Z) -4- (3-Hydroxy-1H-inden-2-yl) -2-oxobut-3-enoic acid
FORMULA C13H10O4
EXACTMASS 230.0579
AVERAGEMASS 230.2161
SMILES OC(=O)C(O)=CC=C(C1)C(=O)c(c2)c(ccc2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C07718
M END
