Mol:BMMCHC--k025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0000 -0.2463 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.2463 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -0.8341 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.8341 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 -0.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.6180 -0.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3122 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3122 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2633 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2633 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0064 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0064 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9575 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9575 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1654 -0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1654 -0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7006 0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7006 0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 3 2 1 4 0 0 0 | + | 3 2 1 4 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k025 | + | ID BMMCHC--k025 |
| − | NAME Lipoic acid | + | NAME Lipoic acid |
| − | FORMULA C8H14O2S2 | + | FORMULA C8H14O2S2 |
| − | EXACTMASS 206.0435 | + | EXACTMASS 206.0435 |
| − | AVERAGEMASS 206.3275 | + | AVERAGEMASS 206.3275 |
| − | SMILES OC(=O)CCCCC(C1)SSC1 | + | SMILES OC(=O)CCCCC(C1)SSC1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00725 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00725 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
2.0000 -0.2463 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.8341 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 -0.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 -0.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7006 0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 1 1 0 0 0 0
3 2 1 4 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 2 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCHC--k025
NAME Lipoic acid
FORMULA C8H14O2S2
EXACTMASS 206.0435
AVERAGEMASS 206.3275
SMILES OC(=O)CCCCC(C1)SSC1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00725
M END
