Mol:BMFYB5HOf001
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 11.6200 -13.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 -14.1400 ...) |
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Copyright: ARM project http://www.metabolome.jp/ | Copyright: ARM project http://www.metabolome.jp/ | ||
10 9 0 0 0 0 0 0 0 0999 V2000 | 10 9 0 0 0 0 0 0 0 0999 V2000 | ||
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12.8324 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 12.8324 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
14.0449 -13.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 14.0449 -13.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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17.6822 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 17.6822 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
18.8946 -13.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | 18.8946 -13.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| + | 20.1111 -14.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| + | 11.6200 -13.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
14.0449 -12.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 14.0449 -12.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
15.2573 -15.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 15.2573 -15.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | + | 1 2 2 0 0 0 | |
| − | + | 2 3 1 0 0 0 | |
| − | 2 | + | 2 9 1 0 0 0 |
3 4 1 0 0 0 | 3 4 1 0 0 0 | ||
| + | 3 10 2 0 0 0 | ||
4 5 1 0 0 0 | 4 5 1 0 0 0 | ||
5 6 1 0 0 0 | 5 6 1 0 0 0 | ||
6 7 1 0 0 0 | 6 7 1 0 0 0 | ||
| − | + | 8 1 1 0 0 0 | |
| − | + | ||
| − | + | ||
S SKP 6 | S SKP 6 | ||
NAME 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one | NAME 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one | ||
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AVERAGEMASS 162.2078 | AVERAGEMASS 162.2078 | ||
SMILES OC=C(O)C(=O)CCSC | SMILES OC=C(O)C(=O)CCSC | ||
| − | |||
M END | M END | ||
Revision as of 14:50, 25 March 2009
Copyright: ARM project http://www.metabolome.jp/ 10 9 0 0 0 0 0 0 0 0999 V2000 12.8324 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 -13.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2573 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4697 -13.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6822 -14.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8946 -13.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1111 -14.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -13.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 -12.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2573 -15.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 10 2 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 1 1 0 0 0 S SKP 6 NAME 1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one ID BMFYB5HOf001 FORMULA C6H10O3S EXACTMASS 162.035064876 AVERAGEMASS 162.2078 SMILES OC=C(O)C(=O)CCSC M END
