| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:31 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156966 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11FO2 |
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| Molecular Mass | 230.0743 |
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| SMILES | O=C(OCc1ccccc1)c1ccc(F)cc1 |
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| InChI Key | CNTWNLQFUTWHID-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 | 4-halobenzoic acids and derivativesaryl fluoridesbenzoyl derivativesbenzyloxycarbonylscarboxylic acid estersfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compounds |
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| Substituents | benzyloxycarbonylaryl fluorideorganofluoridebenzoylbenzoate esterhalobenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundfluorobenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
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