| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H4F4O3 |
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| Molecular Mass | 176.0097 |
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| SMILES | O=C(O)C(O)C(F)(F)C(F)F |
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| InChI Key | SQTOPPGTSRFTGA-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 acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorohydrinshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfluorohydrincarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinalkyl fluorideorganofluoridehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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