| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:54:28 UTC |
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| Update Date | 2025-03-24 20:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01620232 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C5H7NO2 |
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| Molecular Mass | 113.0477 |
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| SMILES | NC1CC(O)=CC1=O |
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| InChI Key | MSARJQNTRGBBRI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | cyclic ketoneshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcyclic ketoneketonevinylogous acidorganic oxideorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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