| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163438 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7F3O5 |
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| Molecular Mass | 216.0246 |
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| SMILES | O=C(O)C(O)C(O)CC(=O)C(F)(F)F |
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| InChI Key | GFPHZTAVDFCCCJ-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 | 1,2-diolsalkyl fluoridesalpha hydroxy acids and derivativesalpha-haloketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganofluoridessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidketonebeta-hydroxy acidsaccharideorganic oxidealpha-haloketonealkyl halidemedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholhalogenated fatty acidalkyl fluorideorganofluoridemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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