| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:03 UTC |
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| Update Date | 2025-03-25 00:58:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6F6O3 |
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| Molecular Mass | 240.0221 |
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| SMILES | CCOC(=O)C(O)(F)C(F)(F)C(F)(F)F |
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| InChI Key | SGUVFJWVLKHFAP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalpha-halocarboxylic acid derivativescarbonyl compoundscarboxylic acid estersfluorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | alcoholalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl grouphalohydrinalkyl fluorideorganofluoridefluorohydrincarboxylic acid derivativeorganohalogen compoundalpha-halocarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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