| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:46 UTC |
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| Update Date | 2025-03-21 18:38:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119461 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C10H9NO3 |
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| Molecular Mass | 191.0582 |
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| SMILES | Nc1ccccc1C(=O)CC(=O)C=O |
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| InChI Key | QXHXUQYBJZXIFM-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 ketoaldehydesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidemonocyclic benzene moietyaryl alkyl ketonebenzoylaldehydebutyrophenonearomatic homomonocyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealpha-ketoaldehydealkyl-phenylketone |
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