| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:17 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7F3O5 |
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| Molecular Mass | 216.0246 |
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| SMILES | COC(=O)C(O)(CC(=O)O)C(F)(F)F |
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| InChI Key | ZOKIEGSEIPXHBU-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 | alkyl fluoridesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfluorohydrinshydrocarbon derivativeshydroxy fatty acidsmethyl estersorganic oxidesorganofluoridesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfluorohydrincarboxylic acid derivativeorganohalogen compoundorganic oxidemethyl esteralkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinalkyl fluorideorganofluoridebranched fatty acidfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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