| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:34 UTC |
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| Update Date | 2025-03-21 17:57:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005171 |
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| Frequency | 1046.0 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | Nc1ccccc1C(=O)C(=O)O |
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| InChI Key | MQMWPBBDMIYYMI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesamino acidsaryl ketonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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