| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:24 UTC |
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| Update Date | 2025-03-21 18:29:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077527 |
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| Frequency | 37.8 |
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| Structure | |
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| Chemical Formula | C16H19N3O6 |
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| Molecular Mass | 349.1274 |
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| SMILES | COc1ccc2[nH]cc(CC(NC(=O)C(N)CC(=O)O)C(=O)O)c2c1 |
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| InChI Key | RKDDWTACKROEIB-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 acidsanisolesaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidindolefatty amidealpha-amino acid or derivativesalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundanisolepyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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