| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:07 UTC |
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| Update Date | 2025-03-21 17:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020023 |
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| Frequency | 215.3 |
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| Structure | |
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| Chemical Formula | C10H12N2O4 |
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| Molecular Mass | 224.0797 |
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| SMILES | NC(CC(=O)Nc1ccc(O)cc1)C(=O)O |
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| InChI Key | SSYHAKPQRCPVLE-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsanilidescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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