| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:29 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9FO5 |
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| Molecular Mass | 180.0434 |
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| SMILES | CC(=O)OCCC(O)(F)C(=O)O |
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| InChI Key | BUVIVXUHGJPWFT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl fluoridesalpha hydroxy acids and derivativesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganofluoridesshort-chain hydroxy acids and derivatives |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholalkyl fluorideorganofluoridehydroxy acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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