| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:56:41 UTC |
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| Update Date | 2025-03-25 01:14:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02331393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | O=C1NC2CCC=NC2N1 |
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| InChI Key | IKFWNMBDSGKACY-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 | pyridines and derivatives |
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| Subclass | hydropyridines |
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| Direct Parent | tetrahydropyridines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundshydrocarbon derivativesimidazolidinonesiminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | imidazolidinecarbonyl groupcarbonic acid derivativeazacycleiminetetrahydropyridineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundimidazolidinoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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