| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:34 UTC |
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| Update Date | 2025-03-21 17:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016604 |
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| Frequency | 257.0 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | NC(C(=O)O)C1=CC(=O)C(=O)C=C1 |
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| InChI Key | BUDKPTKZRMOEJG-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-benzoquinonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsquinones |
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| Substituents | carbonyl groupcarboxylic acido-benzoquinonecyclic ketoneketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundquinone |
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