| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:14:16 UTC |
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| Update Date | 2025-03-24 21:05:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01668241 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H6NO+ |
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| Molecular Mass | 84.0444 |
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| SMILES | C[n+]1ccco1 |
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| InChI Key | LEOYNSMUKJJRLA-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 derivativesorganic cationsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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