| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:47:07 UTC |
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| Update Date | 2025-03-25 00:27:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02031462 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H8N2O |
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| Molecular Mass | 136.0637 |
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| SMILES | CCc1ccc(C=O)nn1 |
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| InChI Key | KNOVJUPUMXTJJQ-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridazines and derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidearyl-aldehydepyridazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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