| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:06 UTC |
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| Update Date | 2025-03-21 18:37:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117882 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C14H18N2O6 |
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| Molecular Mass | 310.1165 |
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| SMILES | NC(CCC(NC(=O)Cc1ccc(O)cc1)C(=O)O)C(=O)O |
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| InChI Key | QOXRSTHPWSJNAO-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidphenylacetamiden-acyl-alpha-amino acidcarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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