| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:18 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N3O5 |
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| Molecular Mass | 323.1481 |
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| SMILES | NCCCCC(NC(=O)CNC(=O)c1ccccc1O)C(=O)O |
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| InChI Key | FFEWYIPAOHHACX-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamino fatty acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativesmedium-chain hydroxy acidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupamino fatty acidsalicylamiden-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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