| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:33 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218795 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5 |
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| Molecular Mass | 211.0481 |
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| SMILES | Cn1cccc(C(=O)C(O)C(=O)O)c1=O |
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| InChI Key | KTCUBPMFNIQHFG-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 | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinonessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonelactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-keto acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativespyridineketo acidacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundpyridinone |
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