| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:55:07 UTC |
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| Update Date | 2025-03-24 20:05:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01335724 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | C=CC1=C(C(=O)O)C=NC1 |
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| InChI Key | VOWXLRSGXDGLIF-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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