| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:00 UTC |
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| Update Date | 2025-03-25 00:51:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185322 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO4 |
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| Molecular Mass | 243.0298 |
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| SMILES | NC(=O)C(Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | ATFVAYXJVSONPS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsaryl chloridescarboxylic acidschlorobenzenesfatty amideshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridefatty amide1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundhalobenzeneorganooxygen compound |
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