Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:38 UTC |
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Update Date | 2025-03-25 00:51:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02186816 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C5H8N2O2 |
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Molecular Mass | 128.0586 |
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SMILES | NCCc1c[nH]oc1=O |
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InChI Key | LANKKYNVFIPJPE-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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