| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:19 UTC |
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| Update Date | 2025-03-21 18:06:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062886 |
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| Frequency | 49.2 |
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| Structure | |
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| Chemical Formula | C9H9ClO4 |
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| Molecular Mass | 216.0189 |
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| SMILES | COc1cc(CC(=O)O)cc(Cl)c1O |
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| InChI Key | KUSQTFMNHGRCGS-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridemethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloride2-chlorophenolchlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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