| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:36 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6N2O2 |
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| Molecular Mass | 114.0429 |
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| SMILES | NCc1cc(=O)o[nH]1 |
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| InChI Key | IYPNCOMZJBQOEZ-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 derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazoleoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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