| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:01:24 UTC |
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| Update Date | 2025-03-21 18:06:50 UTC |
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| HMDB ID | HMDB0060659 |
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| Metabolite Identification |
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| DeepMet ID | DMID00065488 |
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| Name | 1-Methyl-4-nitroimidazole |
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| Frequency | 46.7 |
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| Structure | |
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| Chemical Formula | C4H5N3O2 |
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| Molecular Mass | 127.0382 |
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| SMILES | Cn1cnc([N+](=O)[O-])c1 |
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| InChI Key | HSCOLDQJZRZQMV-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 | nitroimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsn-substituted imidazolesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundnitroimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumimidolactamorganic hyponitriten-substituted imidazole |
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