| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:00 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240102 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23N3O4 |
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| Molecular Mass | 309.1689 |
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| SMILES | NC(CCCCNCCC(=O)Nc1ccc(O)cc1)C(=O)O |
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| InChI Key | BKHVHNGSAHKTEL-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamino fatty acidsanilidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidfatty acidn-arylamidealpha-amino acid or derivativesmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidsecondary aliphatic aminesecondary aminecarboxamide groupamino fatty acidbeta amino acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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