| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:23 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO7 |
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| Molecular Mass | 325.1162 |
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| SMILES | COc1ccc(CC(NC(=O)CCC(O)C(=O)O)C(=O)O)cc1 |
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| InChI Key | BTEFYXUJEPCQDH-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidfatty amidemonosaccharidealkyl aryl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidmethoxylated amphetaminehydroxy acidcarboxamide groupmethoxybenzenen-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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