Mol:BMFYB5DAd012
From Metabolomics.JP
<pre> 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
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