| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:42 UTC |
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| Update Date | 2025-03-21 18:31:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087704 |
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| Frequency | 32.4 |
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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 | O=C(O)CC(=O)c1ccccn1 |
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| InChI Key | IXAWSZVFPZQOOT-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 | 2-halopyridinesazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | beta-hydroxy ketonecarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineketo acidhydrocarbon derivativeorganic nitrogen compound |
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