| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:27:43 UTC |
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| Update Date | 2025-03-24 20:20:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01413593 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C4H3N3O2 |
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| Molecular Mass | 125.0225 |
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| SMILES | O=c1onc2[nH][nH]cc1-2 |
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| InChI Key | WKDICNKYVCELOF-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amideazacycleheteroaromatic compoundisoxazolepyrazoleoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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