| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:51 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030972 |
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| Frequency | 119.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O5 |
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| Molecular Mass | 282.1216 |
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| SMILES | NC(=O)Cc1ccc(OCC(O)CNCC(=O)O)cc1 |
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| InChI Key | DUARMUWDNOQJEH-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 ethersamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidealcoholsecondary aliphatic aminesecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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