| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:28 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO5 |
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| Molecular Mass | 315.1107 |
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| SMILES | O=C(O)C(Cc1ccccc1)N=C(O)C(O)c1cccc(O)c1 |
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| InChI Key | RGMFOULEEGJSCG-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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