| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:05 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7FO5 |
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| Molecular Mass | 178.0278 |
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| SMILES | O=C(O)CC(=O)CC(F)C(=O)O |
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| InChI Key | ZJDNHDMDPBYJSV-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-halocarboxylic acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty 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 fluorideorganofluoridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-keto acidgamma-keto acidketoneorganic oxideorganic oxygen compounddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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