| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:03 UTC |
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| Update Date | 2025-03-21 18:35:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105530 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C21H23N3O4 |
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| Molecular Mass | 381.1689 |
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| SMILES | COc1ccc(CC(NC(=O)C(N)Cc2c[nH]c3ccccc23)C(=O)O)cc1 |
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| InChI Key | QVAUQYWDGIHXMI-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidindolefatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidmethoxylated amphetamineheteroaromatic compoundindole or derivativescarboxamide groupmethoxybenzenealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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