| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:55:16 UTC |
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| Update Date | 2025-03-24 20:05:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01336087 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C4H5N3O |
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| Molecular Mass | 111.0433 |
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| SMILES | O=CCc1c[nH]nn1 |
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| InChI Key | ZLMGVUHEFJYULT-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 | triazoles |
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| Direct Parent | triazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | triazolecarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,2,3-triazoleorganooxygen compound |
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