| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224457 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6F2O6 |
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| Molecular Mass | 212.0132 |
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| SMILES | O=C(O)C(=O)CC(F)(F)C(O)C(=O)O |
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| InChI Key | UTPXVTVIUAEFBH-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsfluorohydrinshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganofluoridessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefluorohydrinalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketonesaccharideorganic oxidealpha-keto acidalkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinalkyl fluorideorganofluoridehydroxy acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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