| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:21 UTC |
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| Update Date | 2025-03-25 00:56:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21FO2 |
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| Molecular Mass | 252.1526 |
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| SMILES | CCCCC(CC)COC(=O)c1cccc(F)c1 |
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| InChI Key | VPMHTZASGVFZBQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acids and derivativesaryl fluoridesbenzoyl derivativescarboxylic acid estersfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compounds |
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| Substituents | aryl fluoride3-halobenzoic acid or derivativesorganofluoridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundfluorobenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
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