| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:40 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7FO3 |
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| Molecular Mass | 170.0379 |
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| SMILES | COC(=O)c1cccc(F)c1O |
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| InChI Key | NRGQRZHYRCJTKV-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids3-halobenzoic acids and derivativesaryl fluoridesbenzoyl derivativesfluorobenzeneshalophenolshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativeso-fluorophenolsorganic oxidesorganofluoridesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | aryl fluoride3-halobenzoic acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxidemethyl esterorganofluoridehalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoid2-fluorophenolaryl halidearomatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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