| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:57 UTC |
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| Update Date | 2025-03-21 18:35:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107788 |
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| Frequency | 24.9 |
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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 | Nc1cccc(C(=O)CC(O)C(=O)O)c1N |
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| InChI Key | AREGDNCDHDVQFJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-hydroxy acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidehydroxy acidgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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