| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:38 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135501 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C9H9ClO3 |
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| Molecular Mass | 200.024 |
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| SMILES | CCOC(=O)c1ccc(O)c(Cl)c1 |
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| InChI Key | QBOWIPYEPOVPGR-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 | p-hydroxybenzoic acid alkyl esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3-halobenzoic acids and derivativesaryl chloridesbenzoyl derivativescarboxylic acid esterschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | 3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloride2-chlorophenolchlorobenzenehalobenzoic acid or derivativesp-hydroxybenzoic acid alkyl esteraryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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