| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:42 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104718 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C13H17NO5 |
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| Molecular Mass | 267.1107 |
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| SMILES | COc1ccc(CC(NC(C)C(=O)O)C(=O)O)cc1 |
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| InChI Key | HFJXAESYNVAUHD-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 | alanine and derivativesalkyl aryl ethersalpha amino acidsamino acidsanisolescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminemethoxylated amphetaminesecondary aminemethoxybenzenearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundanisoledicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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