| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:28:19 UTC |
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| Update Date | 2025-03-21 22:19:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00552280 |
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| Frequency | 3.0 |
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| Structure | |
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| Chemical Formula | C3H3NO2 |
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| Molecular Mass | 85.0164 |
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| SMILES | O=C1CC=NO1 |
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| InChI Key | QBWUTXXJFOIVME-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 | azolines |
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| Subclass | isoxazolines |
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| Direct Parent | isoxazolinones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid saltshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxime esters |
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| Substituents | isoxazolinonecarbonyl groupazacycleoximestercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compound |
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