Mol:BMFYB5DAd012
From Metabolomics.JP
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
