| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:32 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202455 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N2O5+ |
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| Molecular Mass | 253.0819 |
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| SMILES | C[N+](=O)C(CC(=O)O)C(=O)Nc1ccccc1O |
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| InChI Key | VFYUMQARXFGIRK-UHFFFAOYSA-O |
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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 | aspartic acid 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 acid amidesalpha amino acidsaminoxidesanilidescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen 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 compoundorganic cationorganic oxoazaniumalpha-amino acid amide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaminoxideaspartic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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