Mol:BMMCACCHq013
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 |
| − | 3.7321 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.0981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 7.5981 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5981 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5981 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5981 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 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 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 14 1 4 0 0 0 | + | 9 14 1 4 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 6 15 1 4 0 0 0 | + | 6 15 1 4 0 0 0 |
| − | 3 16 2 0 0 0 0 | + | 3 16 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACCHq013 | + | ID BMMCACCHq013 |
| − | NAME 6-Hydroxy-3-oxo-alpha-ionol | + | NAME 6-Hydroxy-3-oxo-alpha-ionol |
| − | FORMULA C13H20O3 | + | FORMULA C13H20O3 |
| − | EXACTMASS 224.1412 | + | EXACTMASS 224.1412 |
| − | AVERAGEMASS 224.296 | + | AVERAGEMASS 224.296 |
| − | SMILES CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1 | + | SMILES CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04166 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04166 |
M END | M END | ||
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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
3.7321 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.5981 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0981 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.5981 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5981 0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 1 0 0 0 0
5 13 1 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 14 1 4 0 0 0
9 10 1 0 0 0 0
6 15 1 4 0 0 0
3 16 2 0 0 0 0
S SKP 7
ID BMMCACCHq013
NAME 6-Hydroxy-3-oxo-alpha-ionol
FORMULA C13H20O3
EXACTMASS 224.1412
AVERAGEMASS 224.296
SMILES CC(O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04166
M END
