| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:50:15 UTC |
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| Update Date | 2025-03-25 00:26:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01323812 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C3H3N3O4 |
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| Molecular Mass | 145.0124 |
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| SMILES | O=C1NC(=O)C([N+](=O)[O-])N1 |
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| InChI Key | YZJIHELJNUGFFX-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 | azolidines |
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| Subclass | imidazolidines |
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| Direct Parent | hydantoins |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsc-nitro compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupallyl-type 1,3-dipolar organic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganic oxoazaniumcarbonic acid derivativeazacycleorganic 1,3-dipolar compoundorganic oxygen compoundhydantoinhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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