| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:23 UTC |
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| Update Date | 2025-03-21 18:28:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072645 |
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| Frequency | 41.1 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | COc1ccc(NC(C)=O)c(C(=O)CC(N)C(=O)O)c1 |
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| InChI Key | AJQRZNFSGXWSJL-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 | acetamidesacetanilidesalkyl aryl ethersalpha amino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyethercarboxylic acidaryl alkyl ketonen-acetylarylaminebenzoyln-arylamidealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidevinylogous amideacetanilidecarboxamide groupmethoxybenzenegamma-keto acidbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesanisoleketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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