| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:09 UTC |
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| Update Date | 2025-03-21 18:07:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069703 |
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| Frequency | 43.3 |
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| Structure | |
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| Chemical Formula | C18H19NO5 |
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| Molecular Mass | 329.1263 |
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| SMILES | COc1cc(CC(=O)NC(Cc2ccccc2)C(=O)O)ccc1O |
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| InChI Key | YEOAMAVJHUISLW-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 acidsamphetamines and derivativesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylacetamidesphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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