| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:15:56 UTC |
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| Update Date | 2025-03-24 23:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01242293 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | O=[N+]([O-])C1C=CC(O)C1 |
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| InChI Key | PRWIYVGDROYKLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundsecondary alcoholaliphatic homomonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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