| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:38 UTC |
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| Update Date | 2025-03-21 18:33:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097175 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C16H20N2O5 |
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| Molecular Mass | 320.1372 |
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| SMILES | CC(=O)NCCCC(NC(=O)C=Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | NUXIHBUUGYTSBF-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 benzenoidsacetamidesalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha-amino acidcarboxamide grouphydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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