Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:49:50 UTC |
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Update Date | 2025-03-21 18:02:28 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038202 |
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Frequency | 91.7 |
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Structure | |
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Chemical Formula | C16H17NO5 |
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Molecular Mass | 303.1107 |
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SMILES | COc1cc(CC(N)C(=O)O)ccc1Oc1ccc(O)cc1 |
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InChI Key | GVYCYKDIKSDGKT-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidsdiarylethersdiphenylethershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetaminemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenyletherorganooxygen compound |
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