| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:58 UTC |
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| Update Date | 2025-03-21 18:05:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059720 |
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| Frequency | 52.6 |
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| Structure | |
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| Chemical Formula | C16H15NO5 |
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| Molecular Mass | 301.095 |
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| SMILES | O=C(NC(Cc1ccccc1)C(=O)O)c1cc(O)ccc1O |
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| InChI Key | WYUOPHRMVROQPQ-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 benzenoidsalpha amino acidsamphetamines and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupsalicylamidehydroquinonearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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