| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:13 UTC |
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| Update Date | 2025-03-21 18:39:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125175 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O3 |
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| Molecular Mass | 210.1004 |
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| SMILES | COc1cc(CC(N)C(=O)O)ccc1N |
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| InChI Key | KLAAHRYLQZIIGB-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 acidsamino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesorganic 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 derivativesmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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