| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:13 UTC |
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| Update Date | 2025-03-25 00:55:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O6 |
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| Molecular Mass | 324.1321 |
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| SMILES | CC(=O)N(CC(=O)O)CC(O)COc1ccc(CC(N)=O)cc1 |
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| InChI Key | WNBUNBYKFMUVQN-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etherorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideacetamidealcoholn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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