| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:43 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059104 |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C14H17N3O4 |
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| Molecular Mass | 291.1219 |
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| SMILES | COc1ccc2[nH]cc(CC(N)C(=O)NCC(=O)O)c2c1 |
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| InChI Key | MHTUODJHANRCHS-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 | acyl glycines |
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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 acidsdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidindolefatty amidealkyl aryl etheralpha peptideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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