| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:28:40 UTC |
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| Update Date | 2025-03-24 21:39:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01845422 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | CC(=O)C1=C(O)CN=C1 |
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| InChI Key | YRKQHOHPFRGAAZ-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 heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundshydrocarbon derivativesiminesketonesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketonevinylogous acidorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundalkanolamine |
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