| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:03 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4 |
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| Molecular Mass | 264.111 |
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| SMILES | COc1cc(CNC(=O)C2CNC(=O)C2)ccc1O |
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| InChI Key | GTSKJRJHXWRQQQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsmethoxybenzenesmethoxyphenolsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonephenol ethermonocyclic benzene moietycarbonyl groupetherlactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclecarboxamide groupmethoxybenzenebeta amino acid or derivativessecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolepyrrolidine-3-carboxamidephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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