Mol:BMFYB5CAp013
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 9 8 0 0 0 0 0 0 0 0999 V2000 19.0147 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8179 -15.1901 ...) |
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Copyright: ARM project http://www.metabolome.jp/ | Copyright: ARM project http://www.metabolome.jp/ | ||
9 8 0 0 0 0 0 0 0 0999 V2000 | 9 8 0 0 0 0 0 0 0 0999 V2000 | ||
| + | 20.2178 -15.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
19.0147 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 19.0147 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
17.8179 -15.1901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | 17.8179 -15.1901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | ||
| − | |||
| − | |||
16.6210 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 16.6210 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| + | 15.4179 -15.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
17.8179 -16.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 17.8179 -16.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
20.2433 -16.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 20.2433 -16.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
21.4147 -14.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 21.4147 -14.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | + | 19.0147 -13.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| − | 1 | + | 1 7 1 0 0 0 |
| − | 1 | + | 1 8 2 0 0 0 |
| − | 1 | + | 2 1 1 0 0 0 |
| − | 2 | + | 2 3 1 0 0 0 |
| − | 2 | + | 2 9 2 0 0 0 |
| − | 3 | + | 3 4 1 0 0 0 |
| − | 3 | + | 3 6 1 0 0 0 |
| − | + | 4 5 1 0 0 0 | |
| − | S SKP | + | S SKP 7 |
| − | NAME | + | NAME 3-Methyl-2-oxopentanoic acid |
| + | CAS_RN 39748-53-3 | ||
ID BMFYB5CAp013 | ID BMFYB5CAp013 | ||
FORMULA C6H10O3 | FORMULA C6H10O3 | ||
EXACTMASS 130.062994186 | EXACTMASS 130.062994186 | ||
AVERAGEMASS 130.1418 | AVERAGEMASS 130.1418 | ||
| + | SMILES CCC(C)C(=O)C(O)=O | ||
SMILES CCC(C)C(=O)C(O)=O | SMILES CCC(C)C(=O)C(O)=O | ||
M END | M END | ||
Latest revision as of 17:43, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/ 9 8 0 0 0 0 0 0 0 0999 V2000 20.2178 -15.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0147 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8179 -15.1901 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6210 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4179 -15.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8179 -16.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2433 -16.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4147 -14.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0147 -13.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 1 8 2 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 2 9 2 0 0 0 3 4 1 0 0 0 3 6 1 0 0 0 4 5 1 0 0 0 S SKP 7 NAME 3-Methyl-2-oxopentanoic acid CAS_RN 39748-53-3 ID BMFYB5CAp013 FORMULA C6H10O3 EXACTMASS 130.062994186 AVERAGEMASS 130.1418 SMILES CCC(C)C(=O)C(O)=O SMILES CCC(C)C(=O)C(O)=O M END
