| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:50:36 UTC |
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| Update Date | 2025-03-21 18:02:44 UTC |
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| HMDB ID | HMDB0253711 |
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| Metabolite Identification |
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| DeepMet ID | DMID00039957 |
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| Name | Isoxazole |
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| Frequency | 86.7 |
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| Structure | |
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| Chemical Formula | C3H3NO |
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| Molecular Mass | 69.0215 |
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| SMILES | c1cnoc1 |
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| InChI Key | CTAPFRYPJLPFDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | isoxazoles |
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| Direct Parent | isoxazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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