Mol:BMFYS4KTe003
From Metabolomics.JP
(Difference between revisions)
| Line 24: | Line 24: | ||
8 11 2 0 0 0 0 | 8 11 2 0 0 0 0 | ||
8 10 1 0 0 0 0 | 8 10 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 7 |
ID BMFYS4KTe003 | ID BMFYS4KTe003 | ||
| − | NAME | + | NAME (2-Hydroxy-3-oxobutyl) dihydrogen phosphate |
| + | CAS_RN 114155-98-5 | ||
FORMULA C4H9O6P | FORMULA C4H9O6P | ||
EXACTMASS 184.0136 | EXACTMASS 184.0136 | ||
AVERAGEMASS 184.0844 | AVERAGEMASS 184.0844 | ||
| + | SMILES CC(=O)C(O)COP(O)(O)=O | ||
SMILES CC(=O)C(O)COP(O)(O)=O | SMILES CC(=O)C(O)COP(O)(O)=O | ||
M END | M END | ||
Revision as of 11:45, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 10 0 0 1 0 0 0 0 0999 V2000
3.7321 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 7 1 0 0 0 0
2 5 2 0 0 0 0
3 6 1 4 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
8 10 1 0 0 0 0
S SKP 7
ID BMFYS4KTe003
NAME (2-Hydroxy-3-oxobutyl) dihydrogen phosphate
CAS_RN 114155-98-5
FORMULA C4H9O6P
EXACTMASS 184.0136
AVERAGEMASS 184.0844
SMILES CC(=O)C(O)COP(O)(O)=O
SMILES CC(=O)C(O)COP(O)(O)=O
M END
