| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:18:43 UTC |
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| Update Date | 2025-03-24 20:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01102680 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C6H8N4 |
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| Molecular Mass | 136.0749 |
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| SMILES | N#CC(N)Cc1c[nH]cn1 |
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| InChI Key | UWOIIPLPPXCEKW-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 derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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