| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:41 UTC |
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| Update Date | 2025-03-21 18:02:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040136 |
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| Frequency | 107.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O+ |
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| Molecular Mass | 122.0475 |
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| SMILES | NC(=O)C1=CC=C[N+]=C1 |
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| InChI Key | JMRNBEPWZXPIIA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | primary carboxylic acid amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesiminesorganic cationsorganic oxidesorganopnictogen compounds |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacycleimineorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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