| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:31 UTC |
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| Update Date | 2025-03-21 18:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030164 |
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| Frequency | 123.4 |
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| Structure | |
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| Chemical Formula | C11H11NO5 |
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| Molecular Mass | 237.0637 |
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| SMILES | CC(=O)NC(CC1=CC(=O)C(=O)C=C1)C(=O)O |
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| InChI Key | CDYXHOPYMRJAQQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinonessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acyl-alpha-amino acido-benzoquinonecyclic ketonecarboxamide groupketonesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundquinone |
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