| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:15 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7F9O3 |
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| Molecular Mass | 322.0251 |
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| SMILES | CC(C(=O)O)C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Key | VTHAAKUXNNMSAX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfluorohydrinshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidfluorohydrincarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidorganic oxidealkyl halidemedium-chain fatty acidhydroxy fatty acidhalogenated fatty acidalcoholmethyl-branched fatty acidhalohydrinalkyl fluorideorganofluoridebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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