| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:57 UTC |
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| Update Date | 2025-03-21 18:36:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112642 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O5 |
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| Molecular Mass | 296.1372 |
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| SMILES | CC(NCC(O)COc1ccc(CC(N)=O)cc1)C(=O)O |
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| InChI Key | XDNDODDIYGSZHT-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino 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 alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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