| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:28:32 UTC |
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| Update Date | 2025-03-24 21:39:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01845090 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H3N3O |
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| Molecular Mass | 109.0276 |
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| SMILES | O=C=Nc1c[nH]cn1 |
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| InChI Key | SLVSDQAXNWOLNL-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 | imidazoles |
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| Direct Parent | imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesisocyanatesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleisocyanateheteroaromatic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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