| 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 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163416 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4F2O6 |
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| Molecular Mass | 209.9976 |
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| SMILES | O=C(O)C(=O)CC(=O)C(F)(F)C(=O)O |
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| InChI Key | QJMBUPXLORWWJD-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 | 3-acylpyruvic acidsalkyl fluoridesalpha-halocarboxylic acidsalpha-haloketonesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylshalogenated fatty acidshydrocarbon derivativesorganic oxidesorganofluorides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-halocarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundbeta-keto acidketoneorganic oxidealpha-keto acidalpha-haloketonealkyl halidehalogenated fatty acid3-acylpyruvic acidalkyl fluorideorganofluoridegamma-keto acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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