| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:54 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203301 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7FO7 |
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| Molecular Mass | 222.0176 |
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| SMILES | O=C(O)CCC(=O)C(F)(C(=O)O)C(=O)O |
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| InChI Key | SKUVEJKILQYMLP-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-halocarboxylic acidsalpha-haloketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsgamma-keto acids and derivativeshalogenated fatty acidshydrocarbon derivativesorganic oxidesorganofluorides |
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| Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridetricarboxylic acid or derivativesalpha-halocarboxylic acidorganohalogen compoundbeta-keto acidgamma-keto acidketoneorganic oxideorganic oxygen compoundketo acidalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compound |
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