| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:04 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226784 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO6 |
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| Molecular Mass | 309.1212 |
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| SMILES | CC(O)CCC(=O)NC(OC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | BIOTZHKMLBADLG-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 | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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