| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:47 UTC |
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| Update Date | 2025-03-25 00:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223960 |
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| Frequency | 0.5 |
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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 | NC(=O)Cc1ccc(OCC(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | CXLMBOMZFWWUPB-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidecarboxamide groupgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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