Mol:BMFYB3CAr002
From Metabolomics.JP
(Difference between revisions)
| Line 16: | Line 16: | ||
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 |
| + | CAS_RN 1910-47-0 | ||
FORMULA C4H8O3 | FORMULA C4H8O3 | ||
EXACTMASS 104.0473 | EXACTMASS 104.0473 | ||
AVERAGEMASS 104.1045 | AVERAGEMASS 104.1045 | ||
| + | SMILES OC[C@@H](C)C(O)=O | ||
SMILES OC[C@@H](C)C(O)=O | SMILES OC[C@@H](C)C(O)=O | ||
M END | M END | ||
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
