| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:05:40 UTC |
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| Update Date | 2025-03-21 22:08:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00498825 |
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| Frequency | 3.4 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | O=Cc1c[nH]c2nc[nH]c12 |
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| InChI Key | JGBYSLLXENPLAW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amideazacycleheteroaromatic compoundorganic oxidearyl-aldehydearomatic heteropolycyclic compoundimidazolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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