| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:09 UTC |
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| Update Date | 2025-03-21 18:39:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125009 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O4 |
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| Molecular Mass | 266.1267 |
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| SMILES | NC(CCCCNC(=O)c1ccc(O)cc1)C(=O)O |
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| InChI Key | IYXCRHIPRAKHCI-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino fatty acidsbenzamidesbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidbenzoic acid or derivativescarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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