Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:16 UTC |
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Update Date | 2025-03-21 18:35:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00103648 |
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Frequency | 26.2 |
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Structure | |
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Chemical Formula | C14H19NO6 |
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Molecular Mass | 297.1212 |
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SMILES | COc1cc(CC(NC(C)=O)C(=O)O)cc(OC)c1OC |
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InChI Key | CLKLJJWOJMKFII-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 | acetamidesalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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