Mol:BMMCACCHq001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 11 0 0 1 0 0 0 0 0999 V2000 | + | 11 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 4 5 1 6 0 0 0 | + | 4 5 1 6 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 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 3 11 1 1 0 0 0 | + | 3 11 1 1 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCACCHq001 | + | ID BMMCACCHq001 |
| − | NAME (-)-Menthol | + | NAME (-)-Menthol |
| − | FORMULA C10H20O | + | FORMULA C10H20O |
| − | EXACTMASS 156.1514 | + | EXACTMASS 156.1514 |
| − | AVERAGEMASS 156.2652 | + | AVERAGEMASS 156.2652 |
| − | SMILES C[C@H](C1)C[C@@H](O)[C@@H](C1)C(C)C | + | SMILES C[C@H](C1)C[C@@H](O)[C@@H](C1)C(C)C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00400 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00400 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 5 1 0 0 0 0
4 5 1 6 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
1 7 1 1 0 0 0
3 11 1 1 0 0 0
4 8 1 0 0 0 0
8 10 1 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCACCHq001
NAME (-)-Menthol
FORMULA C10H20O
EXACTMASS 156.1514
AVERAGEMASS 156.2652
SMILES C[C@H](C1)C[C@@H](O)[C@@H](C1)C(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00400
M END
