| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:54:49 UTC |
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| Update Date | 2025-03-24 14:06:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00758248 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C4H6N2O |
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| Molecular Mass | 98.048 |
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| SMILES | NCc1ccon1 |
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| InChI Key | NRYCMMCUURADTR-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 derivativesmonoalkylaminesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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