Mol:BMFYB3CAr002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 7 6 0 0 1 0 0 0 0 0999 V2000 | + | 7 6 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 4 1 6 0 0 0 | + | 2 4 1 6 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | ID BMFYB3CAr002 | + | ID BMFYB3CAr002 |
| − | NAME ( | + | NAME (2R) -3-Hydroxy-2-methylpropanoic acid |
| − | FORMULA C4H8O3 | + | CAS_RN 1910-47-0 |
| − | EXACTMASS 104.0473 | + | FORMULA C4H8O3 |
| − | AVERAGEMASS 104.1045 | + | EXACTMASS 104.0473 |
| − | SMILES OC[C@@H](C)C(O)=O | + | AVERAGEMASS 104.1045 |
| + | SMILES OC[C@@H](C)C(O)=O | ||
| + | SMILES OC[C@@H](C)C(O)=O | ||
M END | M END | ||
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Latest revision as of 16:27, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
7 6 0 0 1 0 0 0 0 0999 V2000
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 6 2 0 0 0 0
2 1 1 0 0 0 0
2 4 1 6 0 0 0
3 2 1 0 0 0 0
3 7 1 0 0 0 0
S SKP 7
ID BMFYB3CAr002
NAME (2R) -3-Hydroxy-2-methylpropanoic acid
CAS_RN 1910-47-0
FORMULA C4H8O3
EXACTMASS 104.0473
AVERAGEMASS 104.1045
SMILES OC[C@@H](C)C(O)=O
SMILES OC[C@@H](C)C(O)=O
M END
