| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:17:55 UTC |
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| Update Date | 2025-03-25 01:22:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02380425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO3 |
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| Molecular Mass | 139.0269 |
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| SMILES | O=C1C=CCC(C(=O)O)=N1 |
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| InChI Key | CRFHHLAMFHXDLT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | imines |
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| Direct Parent | n-acylimines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | n-acyliminecarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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