Mol:BMFYB5DAd012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 7 1 4 0 0 0 | + | 2 7 1 4 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 10 1 4 0 0 0 | + | 3 10 1 4 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 5 12 1 0 0 0 0 | + | 5 12 1 0 0 0 0 |
| − | S SKP 6 | + | S SKP 6 |
| − | ID BMFYB5DAd012 | + | ID BMFYB5DAd012 |
| − | NAME Fluoro-citric acid | + | NAME Fluoro-citric acid |
| − | FORMULA C6H7FO7 | + | FORMULA C6H7FO7 |
| − | EXACTMASS 210.0175 | + | EXACTMASS 210.0175 |
| − | AVERAGEMASS 210.1139 | + | AVERAGEMASS 210.1139 |
| − | SMILES OC(=O)CC(O)(C(O)=O)C(F)C(O)=O | + | SMILES OC(=O)CC(O)(C(O)=O)C(F)C(O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8220 -1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3220 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 1 1 0 0 0 0
1 8 2 0 0 0 0
1 2 1 0 0 0 0
2 7 1 4 0 0 0
2 3 1 0 0 0 0
3 10 1 4 0 0 0
3 6 1 0 0 0 0
6 14 1 0 0 0 0
6 13 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 11 2 0 0 0 0
5 12 1 0 0 0 0
S SKP 6
ID BMFYB5DAd012
NAME Fluoro-citric acid
FORMULA C6H7FO7
EXACTMASS 210.0175
AVERAGEMASS 210.1139
SMILES OC(=O)CC(O)(C(O)=O)C(F)C(O)=O
M END
