| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:36:27 UTC |
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| Update Date | 2025-03-24 20:23:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01434514 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C4H5NO2 |
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| Molecular Mass | 99.032 |
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| SMILES | C=CN=CC(=O)O |
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| InChI Key | UZOXIRGAHUVPCW-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 acyclic compounds |
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| Alternative Parents | aldiminescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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