| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:55 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166891 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11F3O5 |
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| Molecular Mass | 244.0559 |
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| SMILES | CC(C)(CC(O)(C(=O)O)C(F)(F)F)C(=O)O |
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| InChI Key | QBKBXYUETQGSPB-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 acidsdicarboxylic acids and derivativesfluorohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidesorganofluoridesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfluorohydrincarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidalcoholhalogenated fatty acidmethyl-branched fatty acidhalohydrinalkyl fluorideorganofluoridehydroxy acidbranched fatty acidtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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