| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:59 UTC |
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| Update Date | 2025-03-21 17:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024253 |
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| Frequency | 161.0 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | COc1ccc(O)c(C(=O)CCNC(C)=O)c1 |
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| InChI Key | JTCVRUKUEWQQSL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsacetamidesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamide4-alkoxyphenolcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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