Mol:BMMCACDEk005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.7500 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 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 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 -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 |
| − | 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 |
| − | 7.1962 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 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 |
| − | 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 |
| − | 6.3301 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -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 |
| − | 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 1 0 0 0 0 | + | 4 3 1 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 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 14 1 1 0 0 0 | + | 4 14 1 1 0 0 0 |
| − | 3 13 1 6 0 0 0 | + | 3 13 1 6 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 8 15 2 0 0 0 0 | + | 8 15 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACDEk005 | + | ID BMMCACDEk005 |
| − | NAME Chorismic acid | + | NAME Chorismic acid |
| − | FORMULA C10H10O6 | + | FORMULA C10H10O6 |
| − | EXACTMASS 226.0477 | + | EXACTMASS 226.0477 |
| − | AVERAGEMASS 226.1828 | + | AVERAGEMASS 226.1828 |
| − | SMILES OC(=O)C(=C)O[C@H](C=1)[C@H](O)C=CC(C(O)=O)1 | + | SMILES OC(=O)C(=C)O[C@H](C=1)[C@H](O)C=CC(C(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00251 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00251 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
6.3301 0.7500 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 2 0 0 0 0 0 0 0 0 0
6.3301 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 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 -0.7500 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
7.1962 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
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -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
6 1 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
7 12 1 0 0 0 0
7 11 2 0 0 0 0
1 7 1 0 0 0 0
4 14 1 1 0 0 0
3 13 1 6 0 0 0
13 9 1 0 0 0 0
8 16 1 0 0 0 0
8 15 2 0 0 0 0
9 8 1 0 0 0 0
9 10 2 0 0 0 0
S SKP 7
ID BMMCACDEk005
NAME Chorismic acid
FORMULA C10H10O6
EXACTMASS 226.0477
AVERAGEMASS 226.1828
SMILES OC(=O)C(=C)O[C@H](C=1)[C@H](O)C=CC(C(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00251
M END
